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Identification Taxonomy Ontology Physical properties Spectra Biological properties Concentrations Links References enzymes (2) Show 2 proteins XML

Record Information

Version

5.0

Status

Detected but not Quantified

Creation Date

2021-09-10 21:39:39 UTC

Update Date

2021-10-01 18:29:27 UTC

HMDB ID

HMDB0244506

Secondary Accession Numbers

None

Metabolite Identification

Common Name

13-Dihydrodaunorubicin

Description

Daunorubicinol belongs to the class of organic compounds known as anthracyclines. These are polyketides containing a tetracenequinone ring structure with a sugar attached by glycosidic linkage. Based on a literature review a significant number of articles have been published on Daunorubicinol. This compound has been identified in human blood as reported by (PMID: 31557052 ). 13-dihydrodaunorubicin is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically 13-Dihydrodaunorubicin is part of the human exposome. The exposome can be defined as the collection of all the exposures of an individual in a lifetime and how those exposures relate to health. An individual's exposure begins before birth and includes insults from environmental and occupational sources.

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI


  Mrv1533004231515382D          

 38 42  0  0  0  0            999 V2000
    2.1434   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0026   -4.9500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0026   -6.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7158   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2868   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.6110   -1.4803    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  3 35  1  0  0  0  0
  7 35  2  0  0  0  0
 15 36  1  0  0  0  0
 36 37  1  0  0  0  0
 36 38  1  0  0  0  0
M  END

HMDB0250879
     RDKit          3D
Daunorubicinol
 69 73  0  0  0  0  0  0  0  0999 V2000
    5.6365   -4.3285   -0.5855 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7458   -3.2549   -0.3698 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3920   -1.0381    0.5349 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.6495    2.2006    1.1667 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0025    3.3607    1.8053 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END


  Mrv1533004231515382D          

 38 42  0  0  0  0            999 V2000
    2.1434   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 20 28  1  0  0  0  0
 18 29  1  0  0  0  0
 13 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  2  0  0  0  0
 10 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
  3 35  1  0  0  0  0
  7 35  2  0  0  0  0
 15 36  1  0  0  0  0
 36 37  1  0  0  0  0
 36 38  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0244506

> <DATABASE_NAME>
hmdb

> <SMILES>
COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(CC3OC3CC(N)C(O)C(C)O3)C(C)O)C(O)=C1C2=O

> <INCHI_IDENTIFIER>
InChI=1S/C27H31NO10/c1-10-22(30)14(28)7-17(37-10)38-16-9-27(35,11(2)29)8-13-19(16)26(34)21-20(24(13)32)23(31)12-5-4-6-15(36-3)18(12)25(21)33/h4-6,10-11,14,16-17,22,29-30,32,34-35H,7-9,28H2,1-3H3

> <INCHI_KEY>
HJEZFVLKJYFNQW-UHFFFAOYSA-N

> <FORMULA>
C27H31NO10

> <MOLECULAR_WEIGHT>
529.542

> <EXACT_MASS>
529.194796202

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_ATOM_COUNT>
69

> <JCHEM_AVERAGE_POLARIZABILITY>
54.91051069560362

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
10-[(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy]-6,8,11-trihydroxy-8-(1-hydroxyethyl)-1-methoxy-5,7,8,9,10,12-hexahydrotetracene-5,12-dione

> <ALOGPS_LOGP>
1.13

> <JCHEM_LOGP>
1.0136668128665527

> <ALOGPS_LOGS>
-2.78

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
10.19306148953468

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.204094898873816

> <JCHEM_PKA_STRONGEST_BASIC>
9.391163193423855

> <JCHEM_POLAR_SURFACE_AREA>
188.99999999999997

> <JCHEM_REFRACTIVITY>
133.81670000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
8.70e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
10-[(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy]-6,8,11-trihydroxy-8-(1-hydroxyethyl)-1-methoxy-9,10-dihydro-7H-tetracene-5,12-dione

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0250879
     RDKit          3D
Daunorubicinol
 69 73  0  0  0  0  0  0  0  0999 V2000
    5.6365   -4.3285   -0.5855 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7458   -3.2549   -0.3698 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1997   -2.1288    0.2858 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5039   -2.0725    0.7150 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9717   -0.9413    1.3772 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1574    0.1314    1.6160 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8376    0.0864    1.1872 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3920   -1.0381    0.5349 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9943   -1.0827    0.0820 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6061   -2.1087   -0.5075 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0771    0.0185    0.3019 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7343   -0.0567   -0.1476 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4329   -1.2262   -0.7816 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1023    0.9994    0.0783 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3619    2.1295    0.7363 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6495    2.2006    1.1667 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0025    3.3607    1.8053 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5374    1.1367    0.9558 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9277    1.2205    1.4243 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3771    2.2013    2.0120 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6565    3.2192    0.8823 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2215    3.4649   -0.5059 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1699    4.4776   -0.3632 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1084    4.0346   -1.3606 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4309    5.2720   -0.7130 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8603    3.0565   -1.5271 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8471    2.2428   -1.1274 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5215    0.9867   -0.3462 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9134   -0.1826   -0.8302 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8969   -0.8580   -0.1280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5967   -2.2488    0.2843 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6754   -2.8179    1.1836 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6713   -4.2615    1.0623 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9814   -2.2090    0.7608 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0460   -3.1120    0.9271 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8900   -1.8762   -0.7104 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2606   -1.6620   -1.2996 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0332   -0.8171   -0.9624 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1705   -4.6376    0.3360 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4188   -4.0936   -1.3436 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0595   -5.1921   -1.0114 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2091   -2.8956    0.5566 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9961   -0.8906    1.7172 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4987    1.0298    2.1326 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3022   -1.6369   -1.2175 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8514    3.5994    2.1765 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1279    4.1215    1.1854 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4147    2.9180    1.6130 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4327    4.8796   -1.2245 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5645    4.3157   -2.3328 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6383    6.0379   -1.5170 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4413    5.1102   -0.2401 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2714    5.7590   -0.0232 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7894    2.7184   -2.4545 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9369    2.3851   -1.1346 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4623    2.1245   -2.1501 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0977    1.1330    0.6448 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1630   -0.2182    0.7511 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4994   -2.9602   -0.5595 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6711   -2.2299    0.9126 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4685   -2.4914    2.2261 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3343   -4.5917    0.3447 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6984   -4.6208    0.9443 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2048   -1.3424    1.3830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8993   -2.6571    1.0358 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4491   -2.7665   -1.2067 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2567   -0.9325   -2.1343 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9692   -1.3299   -0.5118 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6939   -2.6012   -1.7207 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 16 18  2  0
 18 19  1  0
 19 20  2  0
 15 21  1  0
 21 22  1  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
 24 26  1  0
 22 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 32 34  1  0
 34 35  1  0
 34 36  1  0
 36 37  1  0
 36 38  1  0
  8  3  1  0
 18 11  1  0
 38 30  1  0
 19  7  1  0
 28 14  1  0
  1 39  1  0
  1 40  1  0
  1 41  1  0
  4 42  1  0
  5 43  1  0
  6 44  1  0
 13 45  1  0
 17 46  1  0
 21 47  1  0
 21 48  1  0
 23 49  1  0
 24 50  1  0
 25 51  1  0
 25 52  1  0
 25 53  1  0
 26 54  1  0
 27 55  1  0
 27 56  1  0
 28 57  1  0
 30 58  1  0
 31 59  1  0
 31 60  1  0
 32 61  1  0
 33 62  1  0
 33 63  1  0
 34 64  1  0
 35 65  1  0
 36 66  1  0
 37 67  1  0
 37 68  1  0
 37 69  1  0
M  END

HEADER    PROTEIN                                 23-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-APR-15         0                                  
HETATM    1  C   UNK     0       4.001 -10.010   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0       5.335  -9.240   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       5.335  -7.700   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       4.001  -6.930   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       4.001  -5.390   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       5.335  -4.620   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       6.668  -5.390   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       8.002  -4.620   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       8.002  -3.080   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       9.336  -5.390   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      10.669  -4.620   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0      10.669  -3.080   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0      12.003  -5.390   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      13.337  -4.620   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      14.670  -5.390   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0      16.187  -5.657   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0      14.670  -6.930   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      13.337  -7.700   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0      13.337  -9.240   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0      14.670 -10.010   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      16.004  -9.240   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      17.338 -10.010   0.000  0.00  0.00           C+0
HETATM   23  N   UNK     0      18.672  -9.240   0.000  0.00  0.00           N+0
HETATM   24  C   UNK     0      17.338 -11.550   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0      18.672 -12.320   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0      16.004 -12.320   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      16.004 -13.860   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0      14.670 -11.550   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0      12.003  -6.930   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      10.669  -7.700   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0      10.669  -9.240   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0       9.336  -6.930   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       8.002  -7.700   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0       8.002  -9.240   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0       6.668  -6.930   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      15.197  -3.943   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      16.714  -3.675   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0      14.207  -2.763   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   35                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8   35                                                  
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11   32                                                  
CONECT   11   10   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11   14   29                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16   17   36                                             
CONECT   16   15                                                            
CONECT   17   15   18                                                       
CONECT   18   17   19   29                                                  
CONECT   19   18   20                                                       
CONECT   20   19   21   28                                                  
CONECT   21   20   22                                                       
CONECT   22   21   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22   25   26                                                  
CONECT   25   24                                                            
CONECT   26   24   27   28                                                  
CONECT   27   26                                                            
CONECT   28   26   20                                                       
CONECT   29   18   13   30                                                  
CONECT   30   29   31   32                                                  
CONECT   31   30                                                            
CONECT   32   30   10   33                                                  
CONECT   33   32   34   35                                                  
CONECT   34   33                                                            
CONECT   35   33    3    7                                                  
CONECT   36   15   37   38                                                  
CONECT   37   36                                                            
CONECT   38   36                                                            
MASTER        0    0    0    0    0    0    0    0   38    0   84    0
END

COMPND    HMDB0250879
HETATM    1  C1  UNL     1       5.636  -4.329  -0.585  1.00  0.00           C  
HETATM    2  O1  UNL     1       4.746  -3.255  -0.370  1.00  0.00           O  
HETATM    3  C2  UNL     1       5.200  -2.129   0.286  1.00  0.00           C  
HETATM    4  C3  UNL     1       6.504  -2.072   0.715  1.00  0.00           C  
HETATM    5  C4  UNL     1       6.972  -0.941   1.377  1.00  0.00           C  
HETATM    6  C5  UNL     1       6.157   0.131   1.616  1.00  0.00           C  
HETATM    7  C6  UNL     1       4.838   0.086   1.187  1.00  0.00           C  
HETATM    8  C7  UNL     1       4.392  -1.038   0.535  1.00  0.00           C  
HETATM    9  C8  UNL     1       2.994  -1.083   0.082  1.00  0.00           C  
HETATM   10  O2  UNL     1       2.606  -2.109  -0.507  1.00  0.00           O  
HETATM   11  C9  UNL     1       2.077   0.019   0.302  1.00  0.00           C  
HETATM   12  C10 UNL     1       0.734  -0.057  -0.148  1.00  0.00           C  
HETATM   13  O3  UNL     1       0.433  -1.226  -0.782  1.00  0.00           O  
HETATM   14  C11 UNL     1      -0.102   0.999   0.078  1.00  0.00           C  
HETATM   15  C12 UNL     1       0.362   2.130   0.736  1.00  0.00           C  
HETATM   16  C13 UNL     1       1.650   2.201   1.167  1.00  0.00           C  
HETATM   17  O4  UNL     1       2.003   3.361   1.805  1.00  0.00           O  
HETATM   18  C14 UNL     1       2.537   1.137   0.956  1.00  0.00           C  
HETATM   19  C15 UNL     1       3.928   1.221   1.424  1.00  0.00           C  
HETATM   20  O5  UNL     1       4.377   2.201   2.012  1.00  0.00           O  
HETATM   21  C16 UNL     1      -0.656   3.219   0.882  1.00  0.00           C  
HETATM   22  C17 UNL     1      -1.221   3.465  -0.506  1.00  0.00           C  
HETATM   23  O6  UNL     1      -2.170   4.478  -0.363  1.00  0.00           O  
HETATM   24  C18 UNL     1      -0.108   4.035  -1.361  1.00  0.00           C  
HETATM   25  C19 UNL     1       0.431   5.272  -0.713  1.00  0.00           C  
HETATM   26  O7  UNL     1       0.860   3.056  -1.527  1.00  0.00           O  
HETATM   27  C20 UNL     1      -1.847   2.243  -1.127  1.00  0.00           C  
HETATM   28  C21 UNL     1      -1.522   0.987  -0.346  1.00  0.00           C  
HETATM   29  O8  UNL     1      -1.913  -0.183  -0.830  1.00  0.00           O  
HETATM   30  C22 UNL     1      -2.897  -0.858  -0.128  1.00  0.00           C  
HETATM   31  C23 UNL     1      -2.597  -2.249   0.284  1.00  0.00           C  
HETATM   32  C24 UNL     1      -3.675  -2.818   1.184  1.00  0.00           C  
HETATM   33  N1  UNL     1      -3.671  -4.262   1.062  1.00  0.00           N  
HETATM   34  C25 UNL     1      -4.981  -2.209   0.761  1.00  0.00           C  
HETATM   35  O9  UNL     1      -6.046  -3.112   0.927  1.00  0.00           O  
HETATM   36  C26 UNL     1      -4.890  -1.876  -0.710  1.00  0.00           C  
HETATM   37  C27 UNL     1      -6.261  -1.662  -1.300  1.00  0.00           C  
HETATM   38  O10 UNL     1      -4.033  -0.817  -0.962  1.00  0.00           O  
HETATM   39  H1  UNL     1       6.171  -4.638   0.336  1.00  0.00           H  
HETATM   40  H2  UNL     1       6.419  -4.094  -1.344  1.00  0.00           H  
HETATM   41  H3  UNL     1       5.059  -5.192  -1.011  1.00  0.00           H  
HETATM   42  H4  UNL     1       7.209  -2.896   0.557  1.00  0.00           H  
HETATM   43  H5  UNL     1       7.996  -0.891   1.717  1.00  0.00           H  
HETATM   44  H6  UNL     1       6.499   1.030   2.133  1.00  0.00           H  
HETATM   45  H7  UNL     1      -0.302  -1.637  -1.218  1.00  0.00           H  
HETATM   46  H8  UNL     1       2.851   3.599   2.177  1.00  0.00           H  
HETATM   47  H9  UNL     1      -0.128   4.121   1.185  1.00  0.00           H  
HETATM   48  H10 UNL     1      -1.415   2.918   1.613  1.00  0.00           H  
HETATM   49  H11 UNL     1      -2.433   4.880  -1.224  1.00  0.00           H  
HETATM   50  H12 UNL     1      -0.565   4.316  -2.333  1.00  0.00           H  
HETATM   51  H13 UNL     1       0.638   6.038  -1.517  1.00  0.00           H  
HETATM   52  H14 UNL     1       1.441   5.110  -0.240  1.00  0.00           H  
HETATM   53  H15 UNL     1      -0.271   5.759  -0.023  1.00  0.00           H  
HETATM   54  H16 UNL     1       0.789   2.718  -2.455  1.00  0.00           H  
HETATM   55  H17 UNL     1      -2.937   2.385  -1.135  1.00  0.00           H  
HETATM   56  H18 UNL     1      -1.462   2.124  -2.150  1.00  0.00           H  
HETATM   57  H19 UNL     1      -2.098   1.133   0.645  1.00  0.00           H  
HETATM   58  H20 UNL     1      -3.163  -0.218   0.751  1.00  0.00           H  
HETATM   59  H21 UNL     1      -2.499  -2.960  -0.559  1.00  0.00           H  
HETATM   60  H22 UNL     1      -1.671  -2.230   0.913  1.00  0.00           H  
HETATM   61  H23 UNL     1      -3.468  -2.491   2.226  1.00  0.00           H  
HETATM   62  H24 UNL     1      -4.334  -4.592   0.345  1.00  0.00           H  
HETATM   63  H25 UNL     1      -2.698  -4.621   0.944  1.00  0.00           H  
HETATM   64  H26 UNL     1      -5.205  -1.342   1.383  1.00  0.00           H  
HETATM   65  H27 UNL     1      -6.899  -2.657   1.036  1.00  0.00           H  
HETATM   66  H28 UNL     1      -4.449  -2.766  -1.207  1.00  0.00           H  
HETATM   67  H29 UNL     1      -6.257  -0.932  -2.134  1.00  0.00           H  
HETATM   68  H30 UNL     1      -6.969  -1.330  -0.512  1.00  0.00           H  
HETATM   69  H31 UNL     1      -6.694  -2.601  -1.721  1.00  0.00           H  
CONECT    1    2   39   40   41
CONECT    2    3
CONECT    3    4    4    8
CONECT    4    5   42
CONECT    5    6    6   43
CONECT    6    7   44
CONECT    7    8    8   19
CONECT    8    9
CONECT    9   10   10   11
CONECT   11   12   12   18
CONECT   12   13   14
CONECT   13   45
CONECT   14   15   15   28
CONECT   15   16   21
CONECT   16   17   18   18
CONECT   17   46
CONECT   18   19
CONECT   19   20   20
CONECT   21   22   47   48
CONECT   22   23   24   27
CONECT   23   49
CONECT   24   25   26   50
CONECT   25   51   52   53
CONECT   26   54
CONECT   27   28   55   56
CONECT   28   29   57
CONECT   29   30
CONECT   30   31   38   58
CONECT   31   32   59   60
CONECT   32   33   34   61
CONECT   33   62   63
CONECT   34   35   36   64
CONECT   35   65
CONECT   36   37   38   66
CONECT   37   67   68   69
END

HMDB0250879
     RDKit          3D
Daunorubicinol
 69 73  0  0  0  0  0  0  0  0999 V2000
    5.6365   -4.3285   -0.5855 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7458   -3.2549   -0.3698 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1997   -2.1288    0.2858 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5039   -2.0725    0.7150 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9717   -0.9413    1.3772 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1574    0.1314    1.6160 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8376    0.0864    1.1872 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3920   -1.0381    0.5349 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9943   -1.0827    0.0820 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6061   -2.1087   -0.5075 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0771    0.0185    0.3019 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7343   -0.0567   -0.1476 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4329   -1.2262   -0.7816 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1023    0.9994    0.0783 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3619    2.1295    0.7363 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6495    2.2006    1.1667 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0025    3.3607    1.8053 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5374    1.1367    0.9558 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9277    1.2205    1.4243 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3771    2.2013    2.0120 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6565    3.2192    0.8823 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2215    3.4649   -0.5059 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1699    4.4776   -0.3632 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1084    4.0346   -1.3606 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4309    5.2720   -0.7130 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8603    3.0565   -1.5271 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8471    2.2428   -1.1274 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5215    0.9867   -0.3462 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9134   -0.1826   -0.8302 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8969   -0.8580   -0.1280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5967   -2.2488    0.2843 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6754   -2.8179    1.1836 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6713   -4.2615    1.0623 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9814   -2.2090    0.7608 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0460   -3.1120    0.9271 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8900   -1.8762   -0.7104 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2606   -1.6620   -1.2996 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0332   -0.8171   -0.9624 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1705   -4.6376    0.3360 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4188   -4.0936   -1.3436 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0595   -5.1921   -1.0114 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2091   -2.8956    0.5566 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9961   -0.8906    1.7172 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4987    1.0298    2.1326 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3022   -1.6369   -1.2175 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8514    3.5994    2.1765 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1279    4.1215    1.1854 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4147    2.9180    1.6130 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4327    4.8796   -1.2245 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5645    4.3157   -2.3328 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6383    6.0379   -1.5170 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4413    5.1102   -0.2401 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2714    5.7590   -0.0232 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7894    2.7184   -2.4545 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9369    2.3851   -1.1346 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4623    2.1245   -2.1501 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0977    1.1330    0.6448 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1630   -0.2182    0.7511 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4994   -2.9602   -0.5595 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6711   -2.2299    0.9126 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4685   -2.4914    2.2261 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3343   -4.5917    0.3447 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6984   -4.6208    0.9443 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2048   -1.3424    1.3830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8993   -2.6571    1.0358 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4491   -2.7665   -1.2067 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2567   -0.9325   -2.1343 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9692   -1.3299   -0.5118 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6939   -2.6012   -1.7207 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 16 18  2  0
 18 19  1  0
 19 20  2  0
 15 21  1  0
 21 22  1  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
 24 26  1  0
 22 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 32 34  1  0
 34 35  1  0
 34 36  1  0
 36 37  1  0
 36 38  1  0
  8  3  1  0
 18 11  1  0
 38 30  1  0
 19  7  1  0
 28 14  1  0
  1 39  1  0
  1 40  1  0
  1 41  1  0
  4 42  1  0
  5 43  1  0
  6 44  1  0
 13 45  1  0
 17 46  1  0
 21 47  1  0
 21 48  1  0
 23 49  1  0
 24 50  1  0
 25 51  1  0
 25 52  1  0
 25 53  1  0
 26 54  1  0
 27 55  1  0
 27 56  1  0
 28 57  1  0
 30 58  1  0
 31 59  1  0
 31 60  1  0
 32 61  1  0
 33 62  1  0
 33 63  1  0
 34 64  1  0
 35 65  1  0
 36 66  1  0
 37 67  1  0
 37 68  1  0
 37 69  1  0
M  END

View in JSmol View Stereo Labels

Synonyms

Not Available

Chemical Formula

C₂₇H₃₁NO₁₀

Average Molecular Weight

529.542

Monoisotopic Molecular Weight

529.194796202

IUPAC Name

10-[(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy]-6,8,11-trihydroxy-8-(1-hydroxyethyl)-1-methoxy-5,7,8,9,10,12-hexahydrotetracene-5,12-dione

Traditional Name

10-[(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy]-6,8,11-trihydroxy-8-(1-hydroxyethyl)-1-methoxy-9,10-dihydro-7H-tetracene-5,12-dione

CAS Registry Number

Not Available

SMILES

COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(CC3OC3CC(N)C(O)C(C)O3)C(C)O)C(O)=C1C2=O

InChI Identifier

InChI=1S/C27H31NO10/c1-10-22(30)14(28)7-17(37-10)38-16-9-27(35,11(2)29)8-13-19(16)26(34)21-20(24(13)32)23(31)12-5-4-6-15(36-3)18(12)25(21)33/h4-6,10-11,14,16-17,22,29-30,32,34-35H,7-9,28H2,1-3H3

InChI Key

HJEZFVLKJYFNQW-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as anthracyclines. These are polyketides containing a tetracenequinone ring structure with a sugar attached by glycosidic linkage.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Anthracyclines

Sub Class

Not Available

Direct Parent

Anthracyclines

Alternative Parents

Substituents

Anthracycline
Anthracyclinone-skeleton
Aminoglycoside core
Tetracenequinone
9,10-anthraquinone
1,4-anthraquinone
Anthracene
Hexose monosaccharide
Glycosyl compound
O-glycosyl compound
Tetralin
Anisole
Aryl ketone
Alkyl aryl ether
Amino saccharide
Benzenoid
Monosaccharide
Oxane
Vinylogous acid
Tertiary alcohol
1,2-aminoalcohol
Ketone
Secondary alcohol
Polyol
Acetal
Oxacycle
Ether
Organoheterocyclic compound
Alcohol
Organooxygen compound
Primary amine
Hydrocarbon derivative
Organic oxide
Organopnictogen compound
Organic oxygen compound
Amine
Organic nitrogen compound
Primary aliphatic amine
Organonitrogen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Non-excretory biofluid

Biofluid or Excreta

Blood (PMID: 31557052)

Process

Not Available

Role

Not Available

Physical Properties

State

Not Available

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
logP	1.13	ALOGPS
logP	1.01	ChemAxon
logS	-2.8	ALOGPS
pKa (Strongest Acidic)	8.2	ChemAxon
pKa (Strongest Basic)	9.39	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	11	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	189 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	133.82 m³·mol⁻¹	ChemAxon
Polarizability	54.91 Å³	ChemAxon
Number of Rings	5	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DeepCCS	[M+H]+	213.85	30932474
DeepCCS	[M-H]-	211.455	30932474
DeepCCS	[M-2H]-	244.339	30932474
DeepCCS	[M+Na]+	219.763	30932474
AllCCS	[M+H]+	219.9	32859911
AllCCS	[M+H-H2O]+	218.5	32859911
AllCCS	[M+NH4]+	221.2	32859911
AllCCS	[M+Na]+	221.6	32859911
AllCCS	[M-H]-	211.2	32859911
AllCCS	[M+Na-2H]-	212.5	32859911
AllCCS	[M+HCOO]-	214.0	32859911

Predicted Kovats Retention Indices

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
13-Dihydrodaunorubicin,1TMS,isomer #1	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(C)O)CC3OC3CC(N)C(O)C(C)O3)C(O)=C1C2=O	4548.7	Semi standard non polar	33892256
13-Dihydrodaunorubicin,1TMS,isomer #1	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(C)O)CC3OC3CC(N)C(O)C(C)O3)C(O)=C1C2=O	4271.4	Standard non polar	33892256
13-Dihydrodaunorubicin,1TMS,isomer #1	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(C)O)CC3OC3CC(N)C(O)C(C)O3)C(O)=C1C2=O	6354.4	Standard polar	33892256
13-Dihydrodaunorubicin,1TMS,isomer #2	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(C)O)CC3OC3CC(N)C(O)C(C)O3)C(O)=C1C2=O	4478.8	Semi standard non polar	33892256
13-Dihydrodaunorubicin,1TMS,isomer #2	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(C)O)CC3OC3CC(N)C(O)C(C)O3)C(O)=C1C2=O	4303.8	Standard non polar	33892256
13-Dihydrodaunorubicin,1TMS,isomer #2	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(C)O)CC3OC3CC(N)C(O)C(C)O3)C(O)=C1C2=O	6514.7	Standard polar	33892256
13-Dihydrodaunorubicin,1TMS,isomer #3	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(C)O)CC3OC3CC(N)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	4519.5	Semi standard non polar	33892256
13-Dihydrodaunorubicin,1TMS,isomer #3	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(C)O)CC3OC3CC(N)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	4289.3	Standard non polar	33892256
13-Dihydrodaunorubicin,1TMS,isomer #3	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(C)O)CC3OC3CC(N)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	6223.1	Standard polar	33892256
13-Dihydrodaunorubicin,1TMS,isomer #4	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(C)O[Si](C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O)=C1C2=O	4481.7	Semi standard non polar	33892256
13-Dihydrodaunorubicin,1TMS,isomer #4	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(C)O[Si](C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O)=C1C2=O	4309.4	Standard non polar	33892256
13-Dihydrodaunorubicin,1TMS,isomer #4	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(C)O[Si](C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O)=C1C2=O	6301.5	Standard polar	33892256
13-Dihydrodaunorubicin,1TMS,isomer #5	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(C)O)CC3OC3CC(N)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4549.4	Semi standard non polar	33892256
13-Dihydrodaunorubicin,1TMS,isomer #5	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(C)O)CC3OC3CC(N)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4269.8	Standard non polar	33892256
13-Dihydrodaunorubicin,1TMS,isomer #5	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(C)O)CC3OC3CC(N)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	6367.9	Standard polar	33892256
13-Dihydrodaunorubicin,1TMS,isomer #6	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(C)O)CC3OC3CC(N[Si](C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	4558.4	Semi standard non polar	33892256
13-Dihydrodaunorubicin,1TMS,isomer #6	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(C)O)CC3OC3CC(N[Si](C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	4402.2	Standard non polar	33892256
13-Dihydrodaunorubicin,1TMS,isomer #6	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(C)O)CC3OC3CC(N[Si](C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	6249.7	Standard polar	33892256
13-Dihydrodaunorubicin,2TMS,isomer #1	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(C)O)CC3OC3CC(N)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4444.2	Semi standard non polar	33892256
13-Dihydrodaunorubicin,2TMS,isomer #1	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(C)O)CC3OC3CC(N)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4273.0	Standard non polar	33892256
13-Dihydrodaunorubicin,2TMS,isomer #1	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(C)O)CC3OC3CC(N)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	5988.8	Standard polar	33892256
13-Dihydrodaunorubicin,2TMS,isomer #10	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(C)O)CC3OC3CC(N)C(O[Si](C)(C)C)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4420.8	Semi standard non polar	33892256
13-Dihydrodaunorubicin,2TMS,isomer #10	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(C)O)CC3OC3CC(N)C(O[Si](C)(C)C)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4304.2	Standard non polar	33892256
13-Dihydrodaunorubicin,2TMS,isomer #10	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(C)O)CC3OC3CC(N)C(O[Si](C)(C)C)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	5880.0	Standard polar	33892256
13-Dihydrodaunorubicin,2TMS,isomer #11	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(C)O[Si](C)(C)C)CC3OC3CC(N)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	4385.9	Semi standard non polar	33892256
13-Dihydrodaunorubicin,2TMS,isomer #11	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(C)O[Si](C)(C)C)CC3OC3CC(N)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	4333.3	Standard non polar	33892256
13-Dihydrodaunorubicin,2TMS,isomer #11	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(C)O[Si](C)(C)C)CC3OC3CC(N)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	5790.8	Standard polar	33892256
13-Dihydrodaunorubicin,2TMS,isomer #12	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(C)O)CC3OC3CC(N[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	4412.4	Semi standard non polar	33892256
13-Dihydrodaunorubicin,2TMS,isomer #12	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(C)O)CC3OC3CC(N[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	4401.3	Standard non polar	33892256
13-Dihydrodaunorubicin,2TMS,isomer #12	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(C)O)CC3OC3CC(N[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	5697.7	Standard polar	33892256
13-Dihydrodaunorubicin,2TMS,isomer #13	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(C)O[Si](C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4415.1	Semi standard non polar	33892256
13-Dihydrodaunorubicin,2TMS,isomer #13	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(C)O[Si](C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4315.0	Standard non polar	33892256
13-Dihydrodaunorubicin,2TMS,isomer #13	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(C)O[Si](C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	5911.9	Standard polar	33892256
13-Dihydrodaunorubicin,2TMS,isomer #14	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(C)O[Si](C)(C)C)CC3OC3CC(N[Si](C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	4376.2	Semi standard non polar	33892256
13-Dihydrodaunorubicin,2TMS,isomer #14	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(C)O[Si](C)(C)C)CC3OC3CC(N[Si](C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	4431.6	Standard non polar	33892256
13-Dihydrodaunorubicin,2TMS,isomer #14	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(C)O[Si](C)(C)C)CC3OC3CC(N[Si](C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	5806.8	Standard polar	33892256
13-Dihydrodaunorubicin,2TMS,isomer #15	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(C)O)CC3OC3CC(N[Si](C)(C)C)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4450.4	Semi standard non polar	33892256
13-Dihydrodaunorubicin,2TMS,isomer #15	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(C)O)CC3OC3CC(N[Si](C)(C)C)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4401.7	Standard non polar	33892256
13-Dihydrodaunorubicin,2TMS,isomer #15	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(C)O)CC3OC3CC(N[Si](C)(C)C)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	5883.7	Standard polar	33892256
13-Dihydrodaunorubicin,2TMS,isomer #16	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(C)O)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	4548.0	Semi standard non polar	33892256
13-Dihydrodaunorubicin,2TMS,isomer #16	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(C)O)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	4508.9	Standard non polar	33892256
13-Dihydrodaunorubicin,2TMS,isomer #16	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(C)O)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	5977.6	Standard polar	33892256
13-Dihydrodaunorubicin,2TMS,isomer #2	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O[Si](C)(C)C)(C(C)O)CC3OC3CC(N)C(O)C(C)O3)C(O)=C1C2=O	4396.4	Semi standard non polar	33892256
13-Dihydrodaunorubicin,2TMS,isomer #2	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O[Si](C)(C)C)(C(C)O)CC3OC3CC(N)C(O)C(C)O3)C(O)=C1C2=O	4281.6	Standard non polar	33892256
13-Dihydrodaunorubicin,2TMS,isomer #2	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O[Si](C)(C)C)(C(C)O)CC3OC3CC(N)C(O)C(C)O3)C(O)=C1C2=O	6088.0	Standard polar	33892256
13-Dihydrodaunorubicin,2TMS,isomer #3	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(C)O[Si](C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O)=C1C2=O	4406.7	Semi standard non polar	33892256
13-Dihydrodaunorubicin,2TMS,isomer #3	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(C)O[Si](C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O)=C1C2=O	4304.2	Standard non polar	33892256
13-Dihydrodaunorubicin,2TMS,isomer #3	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(C)O[Si](C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O)=C1C2=O	5911.3	Standard polar	33892256
13-Dihydrodaunorubicin,2TMS,isomer #4	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(C)O)CC3OC3CC(N)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	4416.4	Semi standard non polar	33892256
13-Dihydrodaunorubicin,2TMS,isomer #4	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(C)O)CC3OC3CC(N)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	4291.2	Standard non polar	33892256
13-Dihydrodaunorubicin,2TMS,isomer #4	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(C)O)CC3OC3CC(N)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	5872.6	Standard polar	33892256
13-Dihydrodaunorubicin,2TMS,isomer #5	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(C)O)CC3OC3CC(N[Si](C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	4449.8	Semi standard non polar	33892256
13-Dihydrodaunorubicin,2TMS,isomer #5	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(C)O)CC3OC3CC(N[Si](C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	4398.9	Standard non polar	33892256
13-Dihydrodaunorubicin,2TMS,isomer #5	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(C)O)CC3OC3CC(N[Si](C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	5871.0	Standard polar	33892256
13-Dihydrodaunorubicin,2TMS,isomer #6	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(C)O)CC3OC3CC(N)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4404.4	Semi standard non polar	33892256
13-Dihydrodaunorubicin,2TMS,isomer #6	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(C)O)CC3OC3CC(N)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4293.4	Standard non polar	33892256
13-Dihydrodaunorubicin,2TMS,isomer #6	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(C)O)CC3OC3CC(N)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	6106.7	Standard polar	33892256
13-Dihydrodaunorubicin,2TMS,isomer #7	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(C)O[Si](C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O)=C1C2=O	4375.5	Semi standard non polar	33892256
13-Dihydrodaunorubicin,2TMS,isomer #7	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(C)O[Si](C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O)=C1C2=O	4316.1	Standard non polar	33892256
13-Dihydrodaunorubicin,2TMS,isomer #7	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(C)O[Si](C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O)=C1C2=O	6047.3	Standard polar	33892256
13-Dihydrodaunorubicin,2TMS,isomer #8	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(C)O)CC3OC3CC(N)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	4364.5	Semi standard non polar	33892256
13-Dihydrodaunorubicin,2TMS,isomer #8	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(C)O)CC3OC3CC(N)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	4320.9	Standard non polar	33892256
13-Dihydrodaunorubicin,2TMS,isomer #8	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(C)O)CC3OC3CC(N)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	5976.8	Standard polar	33892256
13-Dihydrodaunorubicin,2TMS,isomer #9	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(C)O)CC3OC3CC(N[Si](C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	4375.5	Semi standard non polar	33892256
13-Dihydrodaunorubicin,2TMS,isomer #9	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(C)O)CC3OC3CC(N[Si](C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	4429.4	Standard non polar	33892256
13-Dihydrodaunorubicin,2TMS,isomer #9	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(C)O)CC3OC3CC(N[Si](C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	6007.2	Standard polar	33892256
13-Dihydrodaunorubicin,3TMS,isomer #1	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O[Si](C)(C)C)(C(C)O)CC3OC3CC(N)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4286.3	Semi standard non polar	33892256
13-Dihydrodaunorubicin,3TMS,isomer #1	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O[Si](C)(C)C)(C(C)O)CC3OC3CC(N)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4282.1	Standard non polar	33892256
13-Dihydrodaunorubicin,3TMS,isomer #1	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O[Si](C)(C)C)(C(C)O)CC3OC3CC(N)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	5757.8	Standard polar	33892256
13-Dihydrodaunorubicin,3TMS,isomer #10	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(C)O)CC3OC3CC(N[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	4297.7	Semi standard non polar	33892256
13-Dihydrodaunorubicin,3TMS,isomer #10	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(C)O)CC3OC3CC(N[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	4382.1	Standard non polar	33892256
13-Dihydrodaunorubicin,3TMS,isomer #10	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(C)O)CC3OC3CC(N[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	5396.0	Standard polar	33892256
13-Dihydrodaunorubicin,3TMS,isomer #11	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(C)O)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	4394.3	Semi standard non polar	33892256
13-Dihydrodaunorubicin,3TMS,isomer #11	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(C)O)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	4472.6	Standard non polar	33892256
13-Dihydrodaunorubicin,3TMS,isomer #11	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(C)O)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	5665.2	Standard polar	33892256
13-Dihydrodaunorubicin,3TMS,isomer #12	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(C)O[Si](C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4290.6	Semi standard non polar	33892256
13-Dihydrodaunorubicin,3TMS,isomer #12	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(C)O[Si](C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4305.5	Standard non polar	33892256
13-Dihydrodaunorubicin,3TMS,isomer #12	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(C)O[Si](C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	5698.6	Standard polar	33892256
13-Dihydrodaunorubicin,3TMS,isomer #13	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(C)O)CC3OC3CC(N)C(O[Si](C)(C)C)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4269.2	Semi standard non polar	33892256
13-Dihydrodaunorubicin,3TMS,isomer #13	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(C)O)CC3OC3CC(N)C(O[Si](C)(C)C)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4316.5	Standard non polar	33892256
13-Dihydrodaunorubicin,3TMS,isomer #13	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(C)O)CC3OC3CC(N)C(O[Si](C)(C)C)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	5660.0	Standard polar	33892256
13-Dihydrodaunorubicin,3TMS,isomer #14	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(C)O)CC3OC3CC(N[Si](C)(C)C)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4273.1	Semi standard non polar	33892256
13-Dihydrodaunorubicin,3TMS,isomer #14	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(C)O)CC3OC3CC(N[Si](C)(C)C)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4410.3	Standard non polar	33892256
13-Dihydrodaunorubicin,3TMS,isomer #14	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(C)O)CC3OC3CC(N[Si](C)(C)C)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	5670.5	Standard polar	33892256
13-Dihydrodaunorubicin,3TMS,isomer #15	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(C)O[Si](C)(C)C)CC3OC3CC(N)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	4260.5	Semi standard non polar	33892256
13-Dihydrodaunorubicin,3TMS,isomer #15	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(C)O[Si](C)(C)C)CC3OC3CC(N)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	4334.6	Standard non polar	33892256
13-Dihydrodaunorubicin,3TMS,isomer #15	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(C)O[Si](C)(C)C)CC3OC3CC(N)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	5587.6	Standard polar	33892256
13-Dihydrodaunorubicin,3TMS,isomer #16	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(C)O[Si](C)(C)C)CC3OC3CC(N[Si](C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	4236.0	Semi standard non polar	33892256
13-Dihydrodaunorubicin,3TMS,isomer #16	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(C)O[Si](C)(C)C)CC3OC3CC(N[Si](C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	4422.7	Standard non polar	33892256
13-Dihydrodaunorubicin,3TMS,isomer #16	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(C)O[Si](C)(C)C)CC3OC3CC(N[Si](C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	5581.0	Standard polar	33892256
13-Dihydrodaunorubicin,3TMS,isomer #17	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(C)O)CC3OC3CC(N[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	4215.6	Semi standard non polar	33892256
13-Dihydrodaunorubicin,3TMS,isomer #17	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(C)O)CC3OC3CC(N[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	4411.1	Standard non polar	33892256
13-Dihydrodaunorubicin,3TMS,isomer #17	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(C)O)CC3OC3CC(N[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	5483.3	Standard polar	33892256
13-Dihydrodaunorubicin,3TMS,isomer #18	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(C)O)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	4343.3	Semi standard non polar	33892256
13-Dihydrodaunorubicin,3TMS,isomer #18	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(C)O)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	4499.5	Standard non polar	33892256
13-Dihydrodaunorubicin,3TMS,isomer #18	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(C)O)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	5757.5	Standard polar	33892256
13-Dihydrodaunorubicin,3TMS,isomer #19	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(C)O[Si](C)(C)C)CC3OC3CC(N)C(O[Si](C)(C)C)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4292.1	Semi standard non polar	33892256
13-Dihydrodaunorubicin,3TMS,isomer #19	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(C)O[Si](C)(C)C)CC3OC3CC(N)C(O[Si](C)(C)C)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4336.5	Standard non polar	33892256
13-Dihydrodaunorubicin,3TMS,isomer #19	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(C)O[Si](C)(C)C)CC3OC3CC(N)C(O[Si](C)(C)C)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	5506.0	Standard polar	33892256
13-Dihydrodaunorubicin,3TMS,isomer #2	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(C)O[Si](C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4304.3	Semi standard non polar	33892256
13-Dihydrodaunorubicin,3TMS,isomer #2	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(C)O[Si](C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4298.9	Standard non polar	33892256
13-Dihydrodaunorubicin,3TMS,isomer #2	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(C)O[Si](C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	5614.3	Standard polar	33892256
13-Dihydrodaunorubicin,3TMS,isomer #20	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(C)O)CC3OC3CC(N[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4298.9	Semi standard non polar	33892256
13-Dihydrodaunorubicin,3TMS,isomer #20	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(C)O)CC3OC3CC(N[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4394.8	Standard non polar	33892256
13-Dihydrodaunorubicin,3TMS,isomer #20	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(C)O)CC3OC3CC(N[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	5405.0	Standard polar	33892256
13-Dihydrodaunorubicin,3TMS,isomer #21	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(C)O[Si](C)(C)C)CC3OC3CC(N[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	4216.2	Semi standard non polar	33892256
13-Dihydrodaunorubicin,3TMS,isomer #21	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(C)O[Si](C)(C)C)CC3OC3CC(N[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	4422.7	Standard non polar	33892256
13-Dihydrodaunorubicin,3TMS,isomer #21	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(C)O[Si](C)(C)C)CC3OC3CC(N[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	5330.6	Standard polar	33892256
13-Dihydrodaunorubicin,3TMS,isomer #22	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(C)O)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	4440.1	Semi standard non polar	33892256
13-Dihydrodaunorubicin,3TMS,isomer #22	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(C)O)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	4480.2	Standard non polar	33892256
13-Dihydrodaunorubicin,3TMS,isomer #22	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(C)O)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	5527.8	Standard polar	33892256
13-Dihydrodaunorubicin,3TMS,isomer #23	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(C)O[Si](C)(C)C)CC3OC3CC(N[Si](C)(C)C)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4276.8	Semi standard non polar	33892256
13-Dihydrodaunorubicin,3TMS,isomer #23	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(C)O[Si](C)(C)C)CC3OC3CC(N[Si](C)(C)C)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4419.9	Standard non polar	33892256
13-Dihydrodaunorubicin,3TMS,isomer #23	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(C)O[Si](C)(C)C)CC3OC3CC(N[Si](C)(C)C)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	5502.4	Standard polar	33892256
13-Dihydrodaunorubicin,3TMS,isomer #24	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(C)O[Si](C)(C)C)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	4358.3	Semi standard non polar	33892256
13-Dihydrodaunorubicin,3TMS,isomer #24	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(C)O[Si](C)(C)C)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	4518.0	Standard non polar	33892256
13-Dihydrodaunorubicin,3TMS,isomer #24	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(C)O[Si](C)(C)C)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	5594.7	Standard polar	33892256
13-Dihydrodaunorubicin,3TMS,isomer #25	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(C)O)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4411.6	Semi standard non polar	33892256
13-Dihydrodaunorubicin,3TMS,isomer #25	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(C)O)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4485.1	Standard non polar	33892256
13-Dihydrodaunorubicin,3TMS,isomer #25	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(C)O)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	5672.0	Standard polar	33892256
13-Dihydrodaunorubicin,3TMS,isomer #3	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(C)O)CC3OC3CC(N)C(O[Si](C)(C)C)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4318.4	Semi standard non polar	33892256
13-Dihydrodaunorubicin,3TMS,isomer #3	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(C)O)CC3OC3CC(N)C(O[Si](C)(C)C)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4288.2	Standard non polar	33892256
13-Dihydrodaunorubicin,3TMS,isomer #3	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(C)O)CC3OC3CC(N)C(O[Si](C)(C)C)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	5590.6	Standard polar	33892256
13-Dihydrodaunorubicin,3TMS,isomer #4	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(C)O)CC3OC3CC(N[Si](C)(C)C)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4339.2	Semi standard non polar	33892256
13-Dihydrodaunorubicin,3TMS,isomer #4	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(C)O)CC3OC3CC(N[Si](C)(C)C)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4380.6	Standard non polar	33892256
13-Dihydrodaunorubicin,3TMS,isomer #4	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(C)O)CC3OC3CC(N[Si](C)(C)C)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	5566.8	Standard polar	33892256
13-Dihydrodaunorubicin,3TMS,isomer #5	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O[Si](C)(C)C)(C(C)O[Si](C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O)=C1C2=O	4285.1	Semi standard non polar	33892256
13-Dihydrodaunorubicin,3TMS,isomer #5	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O[Si](C)(C)C)(C(C)O[Si](C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O)=C1C2=O	4300.0	Standard non polar	33892256
13-Dihydrodaunorubicin,3TMS,isomer #5	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O[Si](C)(C)C)(C(C)O[Si](C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O)=C1C2=O	5692.3	Standard polar	33892256
13-Dihydrodaunorubicin,3TMS,isomer #6	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O[Si](C)(C)C)(C(C)O)CC3OC3CC(N)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	4259.5	Semi standard non polar	33892256
13-Dihydrodaunorubicin,3TMS,isomer #6	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O[Si](C)(C)C)(C(C)O)CC3OC3CC(N)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	4307.0	Standard non polar	33892256
13-Dihydrodaunorubicin,3TMS,isomer #6	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O[Si](C)(C)C)(C(C)O)CC3OC3CC(N)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	5640.1	Standard polar	33892256
13-Dihydrodaunorubicin,3TMS,isomer #7	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O[Si](C)(C)C)(C(C)O)CC3OC3CC(N[Si](C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	4265.7	Semi standard non polar	33892256
13-Dihydrodaunorubicin,3TMS,isomer #7	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O[Si](C)(C)C)(C(C)O)CC3OC3CC(N[Si](C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	4399.2	Standard non polar	33892256
13-Dihydrodaunorubicin,3TMS,isomer #7	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O[Si](C)(C)C)(C(C)O)CC3OC3CC(N[Si](C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	5645.8	Standard polar	33892256
13-Dihydrodaunorubicin,3TMS,isomer #8	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(C)O[Si](C)(C)C)CC3OC3CC(N)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	4281.4	Semi standard non polar	33892256
13-Dihydrodaunorubicin,3TMS,isomer #8	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(C)O[Si](C)(C)C)CC3OC3CC(N)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	4322.9	Standard non polar	33892256
13-Dihydrodaunorubicin,3TMS,isomer #8	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(C)O[Si](C)(C)C)CC3OC3CC(N)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	5505.8	Standard polar	33892256
13-Dihydrodaunorubicin,3TMS,isomer #9	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(C)O[Si](C)(C)C)CC3OC3CC(N[Si](C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	4270.3	Semi standard non polar	33892256
13-Dihydrodaunorubicin,3TMS,isomer #9	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(C)O[Si](C)(C)C)CC3OC3CC(N[Si](C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	4412.8	Standard non polar	33892256
13-Dihydrodaunorubicin,3TMS,isomer #9	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(C)O[Si](C)(C)C)CC3OC3CC(N[Si](C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	5498.7	Standard polar	33892256
13-Dihydrodaunorubicin,4TMS,isomer #1	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O[Si](C)(C)C)(C(C)O[Si](C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4178.5	Semi standard non polar	33892256
13-Dihydrodaunorubicin,4TMS,isomer #1	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O[Si](C)(C)C)(C(C)O[Si](C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4296.0	Standard non polar	33892256
13-Dihydrodaunorubicin,4TMS,isomer #1	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O[Si](C)(C)C)(C(C)O[Si](C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	5412.3	Standard polar	33892256
13-Dihydrodaunorubicin,4TMS,isomer #10	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O[Si](C)(C)C)(C(C)O)CC3OC3CC(N[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	4133.5	Semi standard non polar	33892256
13-Dihydrodaunorubicin,4TMS,isomer #10	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O[Si](C)(C)C)(C(C)O)CC3OC3CC(N[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	4388.6	Standard non polar	33892256
13-Dihydrodaunorubicin,4TMS,isomer #10	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O[Si](C)(C)C)(C(C)O)CC3OC3CC(N[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	5182.1	Standard polar	33892256
13-Dihydrodaunorubicin,4TMS,isomer #11	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O[Si](C)(C)C)(C(C)O)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	4250.2	Semi standard non polar	33892256
13-Dihydrodaunorubicin,4TMS,isomer #11	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O[Si](C)(C)C)(C(C)O)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	4470.2	Standard non polar	33892256
13-Dihydrodaunorubicin,4TMS,isomer #11	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O[Si](C)(C)C)(C(C)O)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	5451.7	Standard polar	33892256
13-Dihydrodaunorubicin,4TMS,isomer #12	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(C)O[Si](C)(C)C)CC3OC3CC(N[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	4130.3	Semi standard non polar	33892256
13-Dihydrodaunorubicin,4TMS,isomer #12	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(C)O[Si](C)(C)C)CC3OC3CC(N[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	4391.4	Standard non polar	33892256
13-Dihydrodaunorubicin,4TMS,isomer #12	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(C)O[Si](C)(C)C)CC3OC3CC(N[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	5086.2	Standard polar	33892256
13-Dihydrodaunorubicin,4TMS,isomer #13	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(C)O[Si](C)(C)C)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	4257.9	Semi standard non polar	33892256
13-Dihydrodaunorubicin,4TMS,isomer #13	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(C)O[Si](C)(C)C)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	4486.2	Standard non polar	33892256
13-Dihydrodaunorubicin,4TMS,isomer #13	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(C)O[Si](C)(C)C)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	5340.7	Standard polar	33892256
13-Dihydrodaunorubicin,4TMS,isomer #14	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(C)O)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	4329.0	Semi standard non polar	33892256
13-Dihydrodaunorubicin,4TMS,isomer #14	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(C)O)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	4443.8	Standard non polar	33892256
13-Dihydrodaunorubicin,4TMS,isomer #14	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(C)O)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	5266.0	Standard polar	33892256
13-Dihydrodaunorubicin,4TMS,isomer #15	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(C)O[Si](C)(C)C)CC3OC3CC(N)C(O[Si](C)(C)C)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4169.8	Semi standard non polar	33892256
13-Dihydrodaunorubicin,4TMS,isomer #15	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(C)O[Si](C)(C)C)CC3OC3CC(N)C(O[Si](C)(C)C)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4329.8	Standard non polar	33892256
13-Dihydrodaunorubicin,4TMS,isomer #15	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(C)O[Si](C)(C)C)CC3OC3CC(N)C(O[Si](C)(C)C)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	5323.4	Standard polar	33892256
13-Dihydrodaunorubicin,4TMS,isomer #16	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(C)O[Si](C)(C)C)CC3OC3CC(N[Si](C)(C)C)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4156.0	Semi standard non polar	33892256
13-Dihydrodaunorubicin,4TMS,isomer #16	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(C)O[Si](C)(C)C)CC3OC3CC(N[Si](C)(C)C)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4399.7	Standard non polar	33892256
13-Dihydrodaunorubicin,4TMS,isomer #16	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(C)O[Si](C)(C)C)CC3OC3CC(N[Si](C)(C)C)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	5273.6	Standard polar	33892256
13-Dihydrodaunorubicin,4TMS,isomer #17	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(C)O)CC3OC3CC(N[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4135.2	Semi standard non polar	33892256
13-Dihydrodaunorubicin,4TMS,isomer #17	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(C)O)CC3OC3CC(N[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4395.0	Standard non polar	33892256
13-Dihydrodaunorubicin,4TMS,isomer #17	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(C)O)CC3OC3CC(N[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	5202.8	Standard polar	33892256
13-Dihydrodaunorubicin,4TMS,isomer #18	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(C)O)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4264.3	Semi standard non polar	33892256
13-Dihydrodaunorubicin,4TMS,isomer #18	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(C)O)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4479.3	Standard non polar	33892256
13-Dihydrodaunorubicin,4TMS,isomer #18	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(C)O)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	5470.8	Standard polar	33892256
13-Dihydrodaunorubicin,4TMS,isomer #19	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(C)O[Si](C)(C)C)CC3OC3CC(N[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	4088.0	Semi standard non polar	33892256
13-Dihydrodaunorubicin,4TMS,isomer #19	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(C)O[Si](C)(C)C)CC3OC3CC(N[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	4399.9	Standard non polar	33892256
13-Dihydrodaunorubicin,4TMS,isomer #19	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(C)O[Si](C)(C)C)CC3OC3CC(N[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	5114.4	Standard polar	33892256
13-Dihydrodaunorubicin,4TMS,isomer #2	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O[Si](C)(C)C)(C(C)O)CC3OC3CC(N)C(O[Si](C)(C)C)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4159.9	Semi standard non polar	33892256
13-Dihydrodaunorubicin,4TMS,isomer #2	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O[Si](C)(C)C)(C(C)O)CC3OC3CC(N)C(O[Si](C)(C)C)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4311.1	Standard non polar	33892256
13-Dihydrodaunorubicin,4TMS,isomer #2	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O[Si](C)(C)C)(C(C)O)CC3OC3CC(N)C(O[Si](C)(C)C)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	5389.8	Standard polar	33892256
13-Dihydrodaunorubicin,4TMS,isomer #20	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(C)O[Si](C)(C)C)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	4247.0	Semi standard non polar	33892256
13-Dihydrodaunorubicin,4TMS,isomer #20	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(C)O[Si](C)(C)C)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	4498.0	Standard non polar	33892256
13-Dihydrodaunorubicin,4TMS,isomer #20	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(C)O[Si](C)(C)C)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	5384.0	Standard polar	33892256
13-Dihydrodaunorubicin,4TMS,isomer #21	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(C)O)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	4259.2	Semi standard non polar	33892256
13-Dihydrodaunorubicin,4TMS,isomer #21	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(C)O)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	4477.1	Standard non polar	33892256
13-Dihydrodaunorubicin,4TMS,isomer #21	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(C)O)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	5315.9	Standard polar	33892256
13-Dihydrodaunorubicin,4TMS,isomer #22	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(C)O[Si](C)(C)C)CC3OC3CC(N[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4131.0	Semi standard non polar	33892256
13-Dihydrodaunorubicin,4TMS,isomer #22	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(C)O[Si](C)(C)C)CC3OC3CC(N[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4403.2	Standard non polar	33892256
13-Dihydrodaunorubicin,4TMS,isomer #22	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(C)O[Si](C)(C)C)CC3OC3CC(N[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	5086.1	Standard polar	33892256
13-Dihydrodaunorubicin,4TMS,isomer #23	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(C)O)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4343.3	Semi standard non polar	33892256
13-Dihydrodaunorubicin,4TMS,isomer #23	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(C)O)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4456.6	Standard non polar	33892256
13-Dihydrodaunorubicin,4TMS,isomer #23	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(C)O)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	5271.6	Standard polar	33892256
13-Dihydrodaunorubicin,4TMS,isomer #24	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(C)O[Si](C)(C)C)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	4265.4	Semi standard non polar	33892256
13-Dihydrodaunorubicin,4TMS,isomer #24	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(C)O[Si](C)(C)C)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	4489.6	Standard non polar	33892256
13-Dihydrodaunorubicin,4TMS,isomer #24	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(C)O[Si](C)(C)C)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	5197.6	Standard polar	33892256
13-Dihydrodaunorubicin,4TMS,isomer #25	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(C)O[Si](C)(C)C)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4273.0	Semi standard non polar	33892256
13-Dihydrodaunorubicin,4TMS,isomer #25	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(C)O[Si](C)(C)C)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4496.5	Standard non polar	33892256
13-Dihydrodaunorubicin,4TMS,isomer #25	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(C)O[Si](C)(C)C)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	5340.2	Standard polar	33892256
13-Dihydrodaunorubicin,4TMS,isomer #3	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O[Si](C)(C)C)(C(C)O)CC3OC3CC(N[Si](C)(C)C)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4178.9	Semi standard non polar	33892256
13-Dihydrodaunorubicin,4TMS,isomer #3	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O[Si](C)(C)C)(C(C)O)CC3OC3CC(N[Si](C)(C)C)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4379.7	Standard non polar	33892256
13-Dihydrodaunorubicin,4TMS,isomer #3	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O[Si](C)(C)C)(C(C)O)CC3OC3CC(N[Si](C)(C)C)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	5352.5	Standard polar	33892256
13-Dihydrodaunorubicin,4TMS,isomer #4	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(C)O[Si](C)(C)C)CC3OC3CC(N)C(O[Si](C)(C)C)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4177.5	Semi standard non polar	33892256
13-Dihydrodaunorubicin,4TMS,isomer #4	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(C)O[Si](C)(C)C)CC3OC3CC(N)C(O[Si](C)(C)C)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4316.7	Standard non polar	33892256
13-Dihydrodaunorubicin,4TMS,isomer #4	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(C)O[Si](C)(C)C)CC3OC3CC(N)C(O[Si](C)(C)C)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	5283.4	Standard polar	33892256
13-Dihydrodaunorubicin,4TMS,isomer #5	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(C)O[Si](C)(C)C)CC3OC3CC(N[Si](C)(C)C)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4182.2	Semi standard non polar	33892256
13-Dihydrodaunorubicin,4TMS,isomer #5	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(C)O[Si](C)(C)C)CC3OC3CC(N[Si](C)(C)C)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4384.5	Standard non polar	33892256
13-Dihydrodaunorubicin,4TMS,isomer #5	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(C)O[Si](C)(C)C)CC3OC3CC(N[Si](C)(C)C)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	5246.4	Standard polar	33892256
13-Dihydrodaunorubicin,4TMS,isomer #6	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(C)O)CC3OC3CC(N[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4210.9	Semi standard non polar	33892256
13-Dihydrodaunorubicin,4TMS,isomer #6	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(C)O)CC3OC3CC(N[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4364.9	Standard non polar	33892256
13-Dihydrodaunorubicin,4TMS,isomer #6	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(C)O)CC3OC3CC(N[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	5153.2	Standard polar	33892256
13-Dihydrodaunorubicin,4TMS,isomer #7	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(C)O)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4287.1	Semi standard non polar	33892256
13-Dihydrodaunorubicin,4TMS,isomer #7	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(C)O)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4447.1	Standard non polar	33892256
13-Dihydrodaunorubicin,4TMS,isomer #7	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(C)O)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	5409.0	Standard polar	33892256
13-Dihydrodaunorubicin,4TMS,isomer #8	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O[Si](C)(C)C)(C(C)O[Si](C)(C)C)CC3OC3CC(N)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	4156.5	Semi standard non polar	33892256
13-Dihydrodaunorubicin,4TMS,isomer #8	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O[Si](C)(C)C)(C(C)O[Si](C)(C)C)CC3OC3CC(N)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	4331.4	Standard non polar	33892256
13-Dihydrodaunorubicin,4TMS,isomer #8	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O[Si](C)(C)C)(C(C)O[Si](C)(C)C)CC3OC3CC(N)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	5319.7	Standard polar	33892256
13-Dihydrodaunorubicin,4TMS,isomer #9	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O[Si](C)(C)C)(C(C)O[Si](C)(C)C)CC3OC3CC(N[Si](C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	4152.9	Semi standard non polar	33892256
13-Dihydrodaunorubicin,4TMS,isomer #9	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O[Si](C)(C)C)(C(C)O[Si](C)(C)C)CC3OC3CC(N[Si](C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	4396.3	Standard non polar	33892256
13-Dihydrodaunorubicin,4TMS,isomer #9	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O[Si](C)(C)C)(C(C)O[Si](C)(C)C)CC3OC3CC(N[Si](C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	5270.0	Standard polar	33892256
13-Dihydrodaunorubicin,5TMS,isomer #1	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O[Si](C)(C)C)(C(C)O[Si](C)(C)C)CC3OC3CC(N)C(O[Si](C)(C)C)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4088.0	Semi standard non polar	33892256
13-Dihydrodaunorubicin,5TMS,isomer #1	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O[Si](C)(C)C)(C(C)O[Si](C)(C)C)CC3OC3CC(N)C(O[Si](C)(C)C)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4308.7	Standard non polar	33892256
13-Dihydrodaunorubicin,5TMS,isomer #1	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O[Si](C)(C)C)(C(C)O[Si](C)(C)C)CC3OC3CC(N)C(O[Si](C)(C)C)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	5116.4	Standard polar	33892256
13-Dihydrodaunorubicin,5TMS,isomer #10	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O[Si](C)(C)C)(C(C)O)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	4212.2	Semi standard non polar	33892256
13-Dihydrodaunorubicin,5TMS,isomer #10	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O[Si](C)(C)C)(C(C)O)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	4454.8	Standard non polar	33892256
13-Dihydrodaunorubicin,5TMS,isomer #10	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O[Si](C)(C)C)(C(C)O)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	5034.5	Standard polar	33892256
13-Dihydrodaunorubicin,5TMS,isomer #11	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(C)O[Si](C)(C)C)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	4212.1	Semi standard non polar	33892256
13-Dihydrodaunorubicin,5TMS,isomer #11	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(C)O[Si](C)(C)C)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	4453.2	Standard non polar	33892256
13-Dihydrodaunorubicin,5TMS,isomer #11	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(C)O[Si](C)(C)C)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	4965.9	Standard polar	33892256
13-Dihydrodaunorubicin,5TMS,isomer #12	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(C)O[Si](C)(C)C)CC3OC3CC(N[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4041.1	Semi standard non polar	33892256
13-Dihydrodaunorubicin,5TMS,isomer #12	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(C)O[Si](C)(C)C)CC3OC3CC(N[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4383.3	Standard non polar	33892256
13-Dihydrodaunorubicin,5TMS,isomer #12	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(C)O[Si](C)(C)C)CC3OC3CC(N[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4849.4	Standard polar	33892256
13-Dihydrodaunorubicin,5TMS,isomer #13	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(C)O[Si](C)(C)C)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4203.7	Semi standard non polar	33892256
13-Dihydrodaunorubicin,5TMS,isomer #13	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(C)O[Si](C)(C)C)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4477.2	Standard non polar	33892256
13-Dihydrodaunorubicin,5TMS,isomer #13	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(C)O[Si](C)(C)C)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	5114.9	Standard polar	33892256
13-Dihydrodaunorubicin,5TMS,isomer #14	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(C)O)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4222.4	Semi standard non polar	33892256
13-Dihydrodaunorubicin,5TMS,isomer #14	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(C)O)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4460.5	Standard non polar	33892256
13-Dihydrodaunorubicin,5TMS,isomer #14	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(C)O)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	5054.4	Standard polar	33892256
13-Dihydrodaunorubicin,5TMS,isomer #15	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(C)O[Si](C)(C)C)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	4203.2	Semi standard non polar	33892256
13-Dihydrodaunorubicin,5TMS,isomer #15	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(C)O[Si](C)(C)C)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	4468.6	Standard non polar	33892256
13-Dihydrodaunorubicin,5TMS,isomer #15	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(C)O[Si](C)(C)C)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	4963.2	Standard polar	33892256
13-Dihydrodaunorubicin,5TMS,isomer #16	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(C)O[Si](C)(C)C)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4225.9	Semi standard non polar	33892256
13-Dihydrodaunorubicin,5TMS,isomer #16	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(C)O[Si](C)(C)C)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4466.5	Standard non polar	33892256
13-Dihydrodaunorubicin,5TMS,isomer #16	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(C)O[Si](C)(C)C)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4963.6	Standard polar	33892256
13-Dihydrodaunorubicin,5TMS,isomer #2	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O[Si](C)(C)C)(C(C)O[Si](C)(C)C)CC3OC3CC(N[Si](C)(C)C)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4087.1	Semi standard non polar	33892256
13-Dihydrodaunorubicin,5TMS,isomer #2	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O[Si](C)(C)C)(C(C)O[Si](C)(C)C)CC3OC3CC(N[Si](C)(C)C)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4369.0	Standard non polar	33892256
13-Dihydrodaunorubicin,5TMS,isomer #2	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O[Si](C)(C)C)(C(C)O[Si](C)(C)C)CC3OC3CC(N[Si](C)(C)C)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	5010.0	Standard polar	33892256
13-Dihydrodaunorubicin,5TMS,isomer #3	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O[Si](C)(C)C)(C(C)O)CC3OC3CC(N[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4061.1	Semi standard non polar	33892256
13-Dihydrodaunorubicin,5TMS,isomer #3	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O[Si](C)(C)C)(C(C)O)CC3OC3CC(N[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4367.6	Standard non polar	33892256
13-Dihydrodaunorubicin,5TMS,isomer #3	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O[Si](C)(C)C)(C(C)O)CC3OC3CC(N[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4936.0	Standard polar	33892256
13-Dihydrodaunorubicin,5TMS,isomer #4	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O[Si](C)(C)C)(C(C)O)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4188.1	Semi standard non polar	33892256
13-Dihydrodaunorubicin,5TMS,isomer #4	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O[Si](C)(C)C)(C(C)O)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4454.6	Standard non polar	33892256
13-Dihydrodaunorubicin,5TMS,isomer #4	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O[Si](C)(C)C)(C(C)O)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	5197.0	Standard polar	33892256
13-Dihydrodaunorubicin,5TMS,isomer #5	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(C)O[Si](C)(C)C)CC3OC3CC(N[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4061.9	Semi standard non polar	33892256
13-Dihydrodaunorubicin,5TMS,isomer #5	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(C)O[Si](C)(C)C)CC3OC3CC(N[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4363.3	Standard non polar	33892256
13-Dihydrodaunorubicin,5TMS,isomer #5	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(C)O[Si](C)(C)C)CC3OC3CC(N[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4866.7	Standard polar	33892256
13-Dihydrodaunorubicin,5TMS,isomer #6	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(C)O[Si](C)(C)C)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4191.5	Semi standard non polar	33892256
13-Dihydrodaunorubicin,5TMS,isomer #6	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(C)O[Si](C)(C)C)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4457.3	Standard non polar	33892256
13-Dihydrodaunorubicin,5TMS,isomer #6	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(C)O[Si](C)(C)C)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	5116.3	Standard polar	33892256
13-Dihydrodaunorubicin,5TMS,isomer #7	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(C)O)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4253.3	Semi standard non polar	33892256
13-Dihydrodaunorubicin,5TMS,isomer #7	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(C)O)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4423.7	Standard non polar	33892256
13-Dihydrodaunorubicin,5TMS,isomer #7	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(C)O)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	5035.4	Standard polar	33892256
13-Dihydrodaunorubicin,5TMS,isomer #8	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O[Si](C)(C)C)(C(C)O[Si](C)(C)C)CC3OC3CC(N[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	4034.9	Semi standard non polar	33892256
13-Dihydrodaunorubicin,5TMS,isomer #8	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O[Si](C)(C)C)(C(C)O[Si](C)(C)C)CC3OC3CC(N[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	4390.0	Standard non polar	33892256
13-Dihydrodaunorubicin,5TMS,isomer #8	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O[Si](C)(C)C)(C(C)O[Si](C)(C)C)CC3OC3CC(N[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	4850.0	Standard polar	33892256
13-Dihydrodaunorubicin,5TMS,isomer #9	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O[Si](C)(C)C)(C(C)O[Si](C)(C)C)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	4191.2	Semi standard non polar	33892256
13-Dihydrodaunorubicin,5TMS,isomer #9	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O[Si](C)(C)C)(C(C)O[Si](C)(C)C)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	4474.5	Standard non polar	33892256
13-Dihydrodaunorubicin,5TMS,isomer #9	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O[Si](C)(C)C)(C(C)O[Si](C)(C)C)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	5115.6	Standard polar	33892256
13-Dihydrodaunorubicin,1TBDMS,isomer #1	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(CC(O)(C(C)O)CC3OC3CC(N)C(O)C(C)O3)C(O)=C1C2=O	4761.5	Semi standard non polar	33892256
13-Dihydrodaunorubicin,1TBDMS,isomer #1	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(CC(O)(C(C)O)CC3OC3CC(N)C(O)C(C)O3)C(O)=C1C2=O	4494.9	Standard non polar	33892256
13-Dihydrodaunorubicin,1TBDMS,isomer #1	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(CC(O)(C(C)O)CC3OC3CC(N)C(O)C(C)O3)C(O)=C1C2=O	6315.7	Standard polar	33892256
13-Dihydrodaunorubicin,1TBDMS,isomer #2	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C(C)(C)C)(C(C)O)CC3OC3CC(N)C(O)C(C)O3)C(O)=C1C2=O	4705.5	Semi standard non polar	33892256
13-Dihydrodaunorubicin,1TBDMS,isomer #2	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C(C)(C)C)(C(C)O)CC3OC3CC(N)C(O)C(C)O3)C(O)=C1C2=O	4524.2	Standard non polar	33892256
13-Dihydrodaunorubicin,1TBDMS,isomer #2	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C(C)(C)C)(C(C)O)CC3OC3CC(N)C(O)C(C)O3)C(O)=C1C2=O	6408.8	Standard polar	33892256
13-Dihydrodaunorubicin,1TBDMS,isomer #3	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(C)O)CC3OC3CC(N)C(O[Si](C)(C)C(C)(C)C)C(C)O3)C(O)=C1C2=O	4755.0	Semi standard non polar	33892256
13-Dihydrodaunorubicin,1TBDMS,isomer #3	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(C)O)CC3OC3CC(N)C(O[Si](C)(C)C(C)(C)C)C(C)O3)C(O)=C1C2=O	4528.8	Standard non polar	33892256
13-Dihydrodaunorubicin,1TBDMS,isomer #3	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(C)O)CC3OC3CC(N)C(O[Si](C)(C)C(C)(C)C)C(C)O3)C(O)=C1C2=O	6187.7	Standard polar	33892256
13-Dihydrodaunorubicin,1TBDMS,isomer #4	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(C)O[Si](C)(C)C(C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O)=C1C2=O	4713.9	Semi standard non polar	33892256
13-Dihydrodaunorubicin,1TBDMS,isomer #4	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(C)O[Si](C)(C)C(C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O)=C1C2=O	4546.7	Standard non polar	33892256
13-Dihydrodaunorubicin,1TBDMS,isomer #4	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(C)O[Si](C)(C)C(C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O)=C1C2=O	6261.7	Standard polar	33892256
13-Dihydrodaunorubicin,1TBDMS,isomer #5	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(C)O)CC3OC3CC(N)C(O)C(C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	4756.4	Semi standard non polar	33892256
13-Dihydrodaunorubicin,1TBDMS,isomer #5	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(C)O)CC3OC3CC(N)C(O)C(C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	4499.3	Standard non polar	33892256
13-Dihydrodaunorubicin,1TBDMS,isomer #5	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(C)O)CC3OC3CC(N)C(O)C(C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	6317.3	Standard polar	33892256
13-Dihydrodaunorubicin,1TBDMS,isomer #6	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(C)O)CC3OC3CC(N[Si](C)(C)C(C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	4803.8	Semi standard non polar	33892256
13-Dihydrodaunorubicin,1TBDMS,isomer #6	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(C)O)CC3OC3CC(N[Si](C)(C)C(C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	4612.4	Standard non polar	33892256
13-Dihydrodaunorubicin,1TBDMS,isomer #6	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(C)O)CC3OC3CC(N[Si](C)(C)C(C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	6197.3	Standard polar	33892256
13-Dihydrodaunorubicin,2TBDMS,isomer #1	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(CC(O)(C(C)O)CC3OC3CC(N)C(O)C(C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	4862.0	Semi standard non polar	33892256
13-Dihydrodaunorubicin,2TBDMS,isomer #1	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(CC(O)(C(C)O)CC3OC3CC(N)C(O)C(C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	4664.9	Standard non polar	33892256
13-Dihydrodaunorubicin,2TBDMS,isomer #1	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(CC(O)(C(C)O)CC3OC3CC(N)C(O)C(C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	5978.0	Standard polar	33892256
13-Dihydrodaunorubicin,2TBDMS,isomer #10	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(C)O)CC3OC3CC(N)C(O[Si](C)(C)C(C)(C)C)C(C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	4880.3	Semi standard non polar	33892256
13-Dihydrodaunorubicin,2TBDMS,isomer #10	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(C)O)CC3OC3CC(N)C(O[Si](C)(C)C(C)(C)C)C(C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	4712.4	Standard non polar	33892256
13-Dihydrodaunorubicin,2TBDMS,isomer #10	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(C)O)CC3OC3CC(N)C(O[Si](C)(C)C(C)(C)C)C(C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	5864.4	Standard polar	33892256
13-Dihydrodaunorubicin,2TBDMS,isomer #11	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(C)O[Si](C)(C)C(C)(C)C)CC3OC3CC(N)C(O[Si](C)(C)C(C)(C)C)C(C)O3)C(O)=C1C2=O	4850.9	Semi standard non polar	33892256
13-Dihydrodaunorubicin,2TBDMS,isomer #11	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(C)O[Si](C)(C)C(C)(C)C)CC3OC3CC(N)C(O[Si](C)(C)C(C)(C)C)C(C)O3)C(O)=C1C2=O	4765.0	Standard non polar	33892256
13-Dihydrodaunorubicin,2TBDMS,isomer #11	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(C)O[Si](C)(C)C(C)(C)C)CC3OC3CC(N)C(O[Si](C)(C)C(C)(C)C)C(C)O3)C(O)=C1C2=O	5786.1	Standard polar	33892256
13-Dihydrodaunorubicin,2TBDMS,isomer #12	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(C)O)CC3OC3CC(N[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(C)O3)C(O)=C1C2=O	4889.8	Semi standard non polar	33892256
13-Dihydrodaunorubicin,2TBDMS,isomer #12	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(C)O)CC3OC3CC(N[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(C)O3)C(O)=C1C2=O	4803.3	Standard non polar	33892256
13-Dihydrodaunorubicin,2TBDMS,isomer #12	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(C)O)CC3OC3CC(N[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(C)O3)C(O)=C1C2=O	5734.2	Standard polar	33892256
13-Dihydrodaunorubicin,2TBDMS,isomer #13	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(C)O[Si](C)(C)C(C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	4856.2	Semi standard non polar	33892256
13-Dihydrodaunorubicin,2TBDMS,isomer #13	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(C)O[Si](C)(C)C(C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	4727.6	Standard non polar	33892256
13-Dihydrodaunorubicin,2TBDMS,isomer #13	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(C)O[Si](C)(C)C(C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	5900.5	Standard polar	33892256
13-Dihydrodaunorubicin,2TBDMS,isomer #14	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(C)O[Si](C)(C)C(C)(C)C)CC3OC3CC(N[Si](C)(C)C(C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	4853.9	Semi standard non polar	33892256
13-Dihydrodaunorubicin,2TBDMS,isomer #14	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(C)O[Si](C)(C)C(C)(C)C)CC3OC3CC(N[Si](C)(C)C(C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	4843.7	Standard non polar	33892256
13-Dihydrodaunorubicin,2TBDMS,isomer #14	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(C)O[Si](C)(C)C(C)(C)C)CC3OC3CC(N[Si](C)(C)C(C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	5815.1	Standard polar	33892256
13-Dihydrodaunorubicin,2TBDMS,isomer #15	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(C)O)CC3OC3CC(N[Si](C)(C)C(C)(C)C)C(O)C(C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	4907.0	Semi standard non polar	33892256
13-Dihydrodaunorubicin,2TBDMS,isomer #15	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(C)O)CC3OC3CC(N[Si](C)(C)C(C)(C)C)C(O)C(C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	4795.9	Standard non polar	33892256
13-Dihydrodaunorubicin,2TBDMS,isomer #15	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(C)O)CC3OC3CC(N[Si](C)(C)C(C)(C)C)C(O)C(C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	5878.7	Standard polar	33892256
13-Dihydrodaunorubicin,2TBDMS,isomer #16	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(C)O)CC3OC3CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	4941.4	Semi standard non polar	33892256
13-Dihydrodaunorubicin,2TBDMS,isomer #16	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(C)O)CC3OC3CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	4870.9	Standard non polar	33892256
13-Dihydrodaunorubicin,2TBDMS,isomer #16	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(C)O)CC3OC3CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	5921.8	Standard polar	33892256
13-Dihydrodaunorubicin,2TBDMS,isomer #2	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(CC(O[Si](C)(C)C(C)(C)C)(C(C)O)CC3OC3CC(N)C(O)C(C)O3)C(O)=C1C2=O	4837.0	Semi standard non polar	33892256
13-Dihydrodaunorubicin,2TBDMS,isomer #2	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(CC(O[Si](C)(C)C(C)(C)C)(C(C)O)CC3OC3CC(N)C(O)C(C)O3)C(O)=C1C2=O	4677.1	Standard non polar	33892256
13-Dihydrodaunorubicin,2TBDMS,isomer #2	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(CC(O[Si](C)(C)C(C)(C)C)(C(C)O)CC3OC3CC(N)C(O)C(C)O3)C(O)=C1C2=O	5999.1	Standard polar	33892256
13-Dihydrodaunorubicin,2TBDMS,isomer #3	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(CC(O)(C(C)O[Si](C)(C)C(C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O)=C1C2=O	4856.0	Semi standard non polar	33892256
13-Dihydrodaunorubicin,2TBDMS,isomer #3	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(CC(O)(C(C)O[Si](C)(C)C(C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O)=C1C2=O	4714.9	Standard non polar	33892256
13-Dihydrodaunorubicin,2TBDMS,isomer #3	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(CC(O)(C(C)O[Si](C)(C)C(C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O)=C1C2=O	5906.3	Standard polar	33892256
13-Dihydrodaunorubicin,2TBDMS,isomer #4	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(CC(O)(C(C)O)CC3OC3CC(N)C(O[Si](C)(C)C(C)(C)C)C(C)O3)C(O)=C1C2=O	4881.4	Semi standard non polar	33892256
13-Dihydrodaunorubicin,2TBDMS,isomer #4	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(CC(O)(C(C)O)CC3OC3CC(N)C(O[Si](C)(C)C(C)(C)C)C(C)O3)C(O)=C1C2=O	4692.3	Standard non polar	33892256
13-Dihydrodaunorubicin,2TBDMS,isomer #4	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(CC(O)(C(C)O)CC3OC3CC(N)C(O[Si](C)(C)C(C)(C)C)C(C)O3)C(O)=C1C2=O	5863.9	Standard polar	33892256
13-Dihydrodaunorubicin,2TBDMS,isomer #5	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(CC(O)(C(C)O)CC3OC3CC(N[Si](C)(C)C(C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	4902.6	Semi standard non polar	33892256
13-Dihydrodaunorubicin,2TBDMS,isomer #5	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(CC(O)(C(C)O)CC3OC3CC(N[Si](C)(C)C(C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	4787.3	Standard non polar	33892256
13-Dihydrodaunorubicin,2TBDMS,isomer #5	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(CC(O)(C(C)O)CC3OC3CC(N[Si](C)(C)C(C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	5874.6	Standard polar	33892256
13-Dihydrodaunorubicin,2TBDMS,isomer #6	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C(C)(C)C)(C(C)O)CC3OC3CC(N)C(O)C(C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	4837.3	Semi standard non polar	33892256
13-Dihydrodaunorubicin,2TBDMS,isomer #6	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C(C)(C)C)(C(C)O)CC3OC3CC(N)C(O)C(C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	4684.4	Standard non polar	33892256
13-Dihydrodaunorubicin,2TBDMS,isomer #6	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C(C)(C)C)(C(C)O)CC3OC3CC(N)C(O)C(C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	6010.8	Standard polar	33892256
13-Dihydrodaunorubicin,2TBDMS,isomer #7	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C(C)(C)C)(C(C)O[Si](C)(C)C(C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O)=C1C2=O	4841.3	Semi standard non polar	33892256
13-Dihydrodaunorubicin,2TBDMS,isomer #7	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C(C)(C)C)(C(C)O[Si](C)(C)C(C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O)=C1C2=O	4723.4	Standard non polar	33892256
13-Dihydrodaunorubicin,2TBDMS,isomer #7	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C(C)(C)C)(C(C)O[Si](C)(C)C(C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O)=C1C2=O	5951.5	Standard polar	33892256
13-Dihydrodaunorubicin,2TBDMS,isomer #8	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C(C)(C)C)(C(C)O)CC3OC3CC(N)C(O[Si](C)(C)C(C)(C)C)C(C)O3)C(O)=C1C2=O	4823.6	Semi standard non polar	33892256
13-Dihydrodaunorubicin,2TBDMS,isomer #8	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C(C)(C)C)(C(C)O)CC3OC3CC(N)C(O[Si](C)(C)C(C)(C)C)C(C)O3)C(O)=C1C2=O	4728.7	Standard non polar	33892256
13-Dihydrodaunorubicin,2TBDMS,isomer #8	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C(C)(C)C)(C(C)O)CC3OC3CC(N)C(O[Si](C)(C)C(C)(C)C)C(C)O3)C(O)=C1C2=O	5887.6	Standard polar	33892256
13-Dihydrodaunorubicin,2TBDMS,isomer #9	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C(C)(C)C)(C(C)O)CC3OC3CC(N[Si](C)(C)C(C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	4833.8	Semi standard non polar	33892256
13-Dihydrodaunorubicin,2TBDMS,isomer #9	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C(C)(C)C)(C(C)O)CC3OC3CC(N[Si](C)(C)C(C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	4819.3	Standard non polar	33892256
13-Dihydrodaunorubicin,2TBDMS,isomer #9	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C(C)(C)C)(C(C)O)CC3OC3CC(N[Si](C)(C)C(C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	5923.1	Standard polar	33892256
13-Dihydrodaunorubicin,3TBDMS,isomer #1	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(CC(O[Si](C)(C)C(C)(C)C)(C(C)O)CC3OC3CC(N)C(O)C(C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	4875.6	Semi standard non polar	33892256
13-Dihydrodaunorubicin,3TBDMS,isomer #1	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(CC(O[Si](C)(C)C(C)(C)C)(C(C)O)CC3OC3CC(N)C(O)C(C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	4808.8	Standard non polar	33892256
13-Dihydrodaunorubicin,3TBDMS,isomer #1	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(CC(O[Si](C)(C)C(C)(C)C)(C(C)O)CC3OC3CC(N)C(O)C(C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	5731.7	Standard polar	33892256
13-Dihydrodaunorubicin,3TBDMS,isomer #10	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(CC(O)(C(C)O)CC3OC3CC(N[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(C)O3)C(O)=C1C2=O	4938.0	Semi standard non polar	33892256
13-Dihydrodaunorubicin,3TBDMS,isomer #10	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(CC(O)(C(C)O)CC3OC3CC(N[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(C)O3)C(O)=C1C2=O	4931.4	Standard non polar	33892256
13-Dihydrodaunorubicin,3TBDMS,isomer #10	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(CC(O)(C(C)O)CC3OC3CC(N[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(C)O3)C(O)=C1C2=O	5492.9	Standard polar	33892256
13-Dihydrodaunorubicin,3TBDMS,isomer #11	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(CC(O)(C(C)O)CC3OC3CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	5045.4	Semi standard non polar	33892256
13-Dihydrodaunorubicin,3TBDMS,isomer #11	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(CC(O)(C(C)O)CC3OC3CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	4983.4	Standard non polar	33892256
13-Dihydrodaunorubicin,3TBDMS,isomer #11	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(CC(O)(C(C)O)CC3OC3CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	5681.1	Standard polar	33892256
13-Dihydrodaunorubicin,3TBDMS,isomer #12	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C(C)(C)C)(C(C)O[Si](C)(C)C(C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	4939.0	Semi standard non polar	33892256
13-Dihydrodaunorubicin,3TBDMS,isomer #12	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C(C)(C)C)(C(C)O[Si](C)(C)C(C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	4847.2	Standard non polar	33892256
13-Dihydrodaunorubicin,3TBDMS,isomer #12	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C(C)(C)C)(C(C)O[Si](C)(C)C(C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	5662.5	Standard polar	33892256
13-Dihydrodaunorubicin,3TBDMS,isomer #13	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C(C)(C)C)(C(C)O)CC3OC3CC(N)C(O[Si](C)(C)C(C)(C)C)C(C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	4918.7	Semi standard non polar	33892256
13-Dihydrodaunorubicin,3TBDMS,isomer #13	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C(C)(C)C)(C(C)O)CC3OC3CC(N)C(O[Si](C)(C)C(C)(C)C)C(C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	4855.1	Standard non polar	33892256
13-Dihydrodaunorubicin,3TBDMS,isomer #13	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C(C)(C)C)(C(C)O)CC3OC3CC(N)C(O[Si](C)(C)C(C)(C)C)C(C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	5629.2	Standard polar	33892256
13-Dihydrodaunorubicin,3TBDMS,isomer #14	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C(C)(C)C)(C(C)O)CC3OC3CC(N[Si](C)(C)C(C)(C)C)C(O)C(C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	4902.9	Semi standard non polar	33892256
13-Dihydrodaunorubicin,3TBDMS,isomer #14	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C(C)(C)C)(C(C)O)CC3OC3CC(N[Si](C)(C)C(C)(C)C)C(O)C(C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	4945.5	Standard non polar	33892256
13-Dihydrodaunorubicin,3TBDMS,isomer #14	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C(C)(C)C)(C(C)O)CC3OC3CC(N[Si](C)(C)C(C)(C)C)C(O)C(C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	5648.7	Standard polar	33892256
13-Dihydrodaunorubicin,3TBDMS,isomer #15	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C(C)(C)C)(C(C)O[Si](C)(C)C(C)(C)C)CC3OC3CC(N)C(O[Si](C)(C)C(C)(C)C)C(C)O3)C(O)=C1C2=O	4961.7	Semi standard non polar	33892256
13-Dihydrodaunorubicin,3TBDMS,isomer #15	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C(C)(C)C)(C(C)O[Si](C)(C)C(C)(C)C)CC3OC3CC(N)C(O[Si](C)(C)C(C)(C)C)C(C)O3)C(O)=C1C2=O	4902.8	Standard non polar	33892256
13-Dihydrodaunorubicin,3TBDMS,isomer #15	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C(C)(C)C)(C(C)O[Si](C)(C)C(C)(C)C)CC3OC3CC(N)C(O[Si](C)(C)C(C)(C)C)C(C)O3)C(O)=C1C2=O	5563.4	Standard polar	33892256
13-Dihydrodaunorubicin,3TBDMS,isomer #16	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C(C)(C)C)(C(C)O[Si](C)(C)C(C)(C)C)CC3OC3CC(N[Si](C)(C)C(C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	4925.0	Semi standard non polar	33892256
13-Dihydrodaunorubicin,3TBDMS,isomer #16	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C(C)(C)C)(C(C)O[Si](C)(C)C(C)(C)C)CC3OC3CC(N[Si](C)(C)C(C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	4975.6	Standard non polar	33892256
13-Dihydrodaunorubicin,3TBDMS,isomer #16	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C(C)(C)C)(C(C)O[Si](C)(C)C(C)(C)C)CC3OC3CC(N[Si](C)(C)C(C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	5576.7	Standard polar	33892256
13-Dihydrodaunorubicin,3TBDMS,isomer #17	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C(C)(C)C)(C(C)O)CC3OC3CC(N[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(C)O3)C(O)=C1C2=O	4871.8	Semi standard non polar	33892256
13-Dihydrodaunorubicin,3TBDMS,isomer #17	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C(C)(C)C)(C(C)O)CC3OC3CC(N[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(C)O3)C(O)=C1C2=O	4964.3	Standard non polar	33892256
13-Dihydrodaunorubicin,3TBDMS,isomer #17	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C(C)(C)C)(C(C)O)CC3OC3CC(N[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(C)O3)C(O)=C1C2=O	5504.0	Standard polar	33892256
13-Dihydrodaunorubicin,3TBDMS,isomer #18	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C(C)(C)C)(C(C)O)CC3OC3CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	4991.7	Semi standard non polar	33892256
13-Dihydrodaunorubicin,3TBDMS,isomer #18	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C(C)(C)C)(C(C)O)CC3OC3CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	5024.3	Standard non polar	33892256
13-Dihydrodaunorubicin,3TBDMS,isomer #18	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C(C)(C)C)(C(C)O)CC3OC3CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	5696.5	Standard polar	33892256
13-Dihydrodaunorubicin,3TBDMS,isomer #19	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(C)O[Si](C)(C)C(C)(C)C)CC3OC3CC(N)C(O[Si](C)(C)C(C)(C)C)C(C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	4947.6	Semi standard non polar	33892256
13-Dihydrodaunorubicin,3TBDMS,isomer #19	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(C)O[Si](C)(C)C(C)(C)C)CC3OC3CC(N)C(O[Si](C)(C)C(C)(C)C)C(C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	4905.5	Standard non polar	33892256
13-Dihydrodaunorubicin,3TBDMS,isomer #19	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(C)O[Si](C)(C)C(C)(C)C)CC3OC3CC(N)C(O[Si](C)(C)C(C)(C)C)C(C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	5544.8	Standard polar	33892256
13-Dihydrodaunorubicin,3TBDMS,isomer #2	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(CC(O)(C(C)O[Si](C)(C)C(C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	4906.8	Semi standard non polar	33892256
13-Dihydrodaunorubicin,3TBDMS,isomer #2	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(CC(O)(C(C)O[Si](C)(C)C(C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	4846.8	Standard non polar	33892256
13-Dihydrodaunorubicin,3TBDMS,isomer #2	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(CC(O)(C(C)O[Si](C)(C)C(C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	5652.6	Standard polar	33892256
13-Dihydrodaunorubicin,3TBDMS,isomer #20	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(C)O)CC3OC3CC(N[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	4945.5	Semi standard non polar	33892256
13-Dihydrodaunorubicin,3TBDMS,isomer #20	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(C)O)CC3OC3CC(N[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	4940.5	Standard non polar	33892256
13-Dihydrodaunorubicin,3TBDMS,isomer #20	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(C)O)CC3OC3CC(N[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	5495.1	Standard polar	33892256
13-Dihydrodaunorubicin,3TBDMS,isomer #21	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(C)O[Si](C)(C)C(C)(C)C)CC3OC3CC(N[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(C)O3)C(O)=C1C2=O	4896.2	Semi standard non polar	33892256
13-Dihydrodaunorubicin,3TBDMS,isomer #21	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(C)O[Si](C)(C)C(C)(C)C)CC3OC3CC(N[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(C)O3)C(O)=C1C2=O	4997.7	Standard non polar	33892256
13-Dihydrodaunorubicin,3TBDMS,isomer #21	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(C)O[Si](C)(C)C(C)(C)C)CC3OC3CC(N[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(C)O3)C(O)=C1C2=O	5429.1	Standard polar	33892256
13-Dihydrodaunorubicin,3TBDMS,isomer #22	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(C)O)CC3OC3CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(C)O3)C(O)=C1C2=O	5067.7	Semi standard non polar	33892256
13-Dihydrodaunorubicin,3TBDMS,isomer #22	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(C)O)CC3OC3CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(C)O3)C(O)=C1C2=O	5017.3	Standard non polar	33892256
13-Dihydrodaunorubicin,3TBDMS,isomer #22	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(C)O)CC3OC3CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(C)O3)C(O)=C1C2=O	5563.0	Standard polar	33892256
13-Dihydrodaunorubicin,3TBDMS,isomer #23	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(C)O[Si](C)(C)C(C)(C)C)CC3OC3CC(N[Si](C)(C)C(C)(C)C)C(O)C(C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	4924.8	Semi standard non polar	33892256
13-Dihydrodaunorubicin,3TBDMS,isomer #23	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(C)O[Si](C)(C)C(C)(C)C)CC3OC3CC(N[Si](C)(C)C(C)(C)C)C(O)C(C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	4980.7	Standard non polar	33892256
13-Dihydrodaunorubicin,3TBDMS,isomer #23	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(C)O[Si](C)(C)C(C)(C)C)CC3OC3CC(N[Si](C)(C)C(C)(C)C)C(O)C(C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	5564.3	Standard polar	33892256
13-Dihydrodaunorubicin,3TBDMS,isomer #24	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(C)O[Si](C)(C)C(C)(C)C)CC3OC3CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	5015.6	Semi standard non polar	33892256
13-Dihydrodaunorubicin,3TBDMS,isomer #24	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(C)O[Si](C)(C)C(C)(C)C)CC3OC3CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	5058.6	Standard non polar	33892256
13-Dihydrodaunorubicin,3TBDMS,isomer #24	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(C)O[Si](C)(C)C(C)(C)C)CC3OC3CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	5614.8	Standard polar	33892256
13-Dihydrodaunorubicin,3TBDMS,isomer #25	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(C)O)CC3OC3CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(O)C(C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	5061.7	Semi standard non polar	33892256
13-Dihydrodaunorubicin,3TBDMS,isomer #25	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(C)O)CC3OC3CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(O)C(C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	5004.7	Standard non polar	33892256
13-Dihydrodaunorubicin,3TBDMS,isomer #25	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(C)O)CC3OC3CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(O)C(C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	5681.3	Standard polar	33892256
13-Dihydrodaunorubicin,3TBDMS,isomer #3	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(CC(O)(C(C)O)CC3OC3CC(N)C(O[Si](C)(C)C(C)(C)C)C(C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	4928.6	Semi standard non polar	33892256
13-Dihydrodaunorubicin,3TBDMS,isomer #3	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(CC(O)(C(C)O)CC3OC3CC(N)C(O[Si](C)(C)C(C)(C)C)C(C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	4822.9	Standard non polar	33892256
13-Dihydrodaunorubicin,3TBDMS,isomer #3	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(CC(O)(C(C)O)CC3OC3CC(N)C(O[Si](C)(C)C(C)(C)C)C(C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	5625.4	Standard polar	33892256
13-Dihydrodaunorubicin,3TBDMS,isomer #4	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(CC(O)(C(C)O)CC3OC3CC(N[Si](C)(C)C(C)(C)C)C(O)C(C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	4932.8	Semi standard non polar	33892256
13-Dihydrodaunorubicin,3TBDMS,isomer #4	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(CC(O)(C(C)O)CC3OC3CC(N[Si](C)(C)C(C)(C)C)C(O)C(C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	4913.3	Standard non polar	33892256
13-Dihydrodaunorubicin,3TBDMS,isomer #4	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(CC(O)(C(C)O)CC3OC3CC(N[Si](C)(C)C(C)(C)C)C(O)C(C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	5628.6	Standard polar	33892256
13-Dihydrodaunorubicin,3TBDMS,isomer #5	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(CC(O[Si](C)(C)C(C)(C)C)(C(C)O[Si](C)(C)C(C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O)=C1C2=O	4913.1	Semi standard non polar	33892256
13-Dihydrodaunorubicin,3TBDMS,isomer #5	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(CC(O[Si](C)(C)C(C)(C)C)(C(C)O[Si](C)(C)C(C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O)=C1C2=O	4854.9	Standard non polar	33892256
13-Dihydrodaunorubicin,3TBDMS,isomer #5	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(CC(O[Si](C)(C)C(C)(C)C)(C(C)O[Si](C)(C)C(C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O)=C1C2=O	5667.1	Standard polar	33892256
13-Dihydrodaunorubicin,3TBDMS,isomer #6	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(CC(O[Si](C)(C)C(C)(C)C)(C(C)O)CC3OC3CC(N)C(O[Si](C)(C)C(C)(C)C)C(C)O3)C(O)=C1C2=O	4895.8	Semi standard non polar	33892256
13-Dihydrodaunorubicin,3TBDMS,isomer #6	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(CC(O[Si](C)(C)C(C)(C)C)(C(C)O)CC3OC3CC(N)C(O[Si](C)(C)C(C)(C)C)C(C)O3)C(O)=C1C2=O	4856.3	Standard non polar	33892256
13-Dihydrodaunorubicin,3TBDMS,isomer #6	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(CC(O[Si](C)(C)C(C)(C)C)(C(C)O)CC3OC3CC(N)C(O[Si](C)(C)C(C)(C)C)C(C)O3)C(O)=C1C2=O	5620.2	Standard polar	33892256
13-Dihydrodaunorubicin,3TBDMS,isomer #7	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(CC(O[Si](C)(C)C(C)(C)C)(C(C)O)CC3OC3CC(N[Si](C)(C)C(C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	4884.5	Semi standard non polar	33892256
13-Dihydrodaunorubicin,3TBDMS,isomer #7	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(CC(O[Si](C)(C)C(C)(C)C)(C(C)O)CC3OC3CC(N[Si](C)(C)C(C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	4948.3	Standard non polar	33892256
13-Dihydrodaunorubicin,3TBDMS,isomer #7	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(CC(O[Si](C)(C)C(C)(C)C)(C(C)O)CC3OC3CC(N[Si](C)(C)C(C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	5634.3	Standard polar	33892256
13-Dihydrodaunorubicin,3TBDMS,isomer #8	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(CC(O)(C(C)O[Si](C)(C)C(C)(C)C)CC3OC3CC(N)C(O[Si](C)(C)C(C)(C)C)C(C)O3)C(O)=C1C2=O	4930.3	Semi standard non polar	33892256
13-Dihydrodaunorubicin,3TBDMS,isomer #8	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(CC(O)(C(C)O[Si](C)(C)C(C)(C)C)CC3OC3CC(N)C(O[Si](C)(C)C(C)(C)C)C(C)O3)C(O)=C1C2=O	4889.7	Standard non polar	33892256
13-Dihydrodaunorubicin,3TBDMS,isomer #8	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(CC(O)(C(C)O[Si](C)(C)C(C)(C)C)CC3OC3CC(N)C(O[Si](C)(C)C(C)(C)C)C(C)O3)C(O)=C1C2=O	5552.7	Standard polar	33892256
13-Dihydrodaunorubicin,3TBDMS,isomer #9	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(CC(O)(C(C)O[Si](C)(C)C(C)(C)C)CC3OC3CC(N[Si](C)(C)C(C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	4909.8	Semi standard non polar	33892256
13-Dihydrodaunorubicin,3TBDMS,isomer #9	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(CC(O)(C(C)O[Si](C)(C)C(C)(C)C)CC3OC3CC(N[Si](C)(C)C(C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	4973.2	Standard non polar	33892256
13-Dihydrodaunorubicin,3TBDMS,isomer #9	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(CC(O)(C(C)O[Si](C)(C)C(C)(C)C)CC3OC3CC(N[Si](C)(C)C(C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	5568.6	Standard polar	33892256

Spectra

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 13-Dihydrodaunorubicin 10V, Positive-QTOF	splash10-00lr-0409030000-143a75f58b943e735df9	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 13-Dihydrodaunorubicin 20V, Positive-QTOF	splash10-02u0-3709120000-9b7a0ad0964ecdfad1d5	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 13-Dihydrodaunorubicin 40V, Positive-QTOF	splash10-03di-6911300000-af2c62816667adb47ce9	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 13-Dihydrodaunorubicin 10V, Negative-QTOF	splash10-001i-0009000000-86ef9aebf67b74171b52	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 13-Dihydrodaunorubicin 20V, Negative-QTOF	splash10-00li-0009000000-775c086bc6168b5bac56	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 13-Dihydrodaunorubicin 40V, Negative-QTOF	splash10-017i-0109120000-6aeb148363340a634aea	2021-10-12	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Blood

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Detected but not Quantified	Not Quantified	Not Specified	Not Specified	Normal	31557052	details

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

135296

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

153511

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Barupal DK, Fiehn O: Generating the Blood Exposome Database Using a Comprehensive Text Mining and Database Fusion Approach. Environ Health Perspect. 2019 Sep;127(9):97008. doi: 10.1289/EHP4713. Epub 2019 Sep 26. [PubMed:31557052 ]

Enzymes

Enzyme Details

1. Carbonyl reductase [NADPH] 1

General function:: Involved in oxidoreductase activity
Specific function:: NADPH-dependent reductase with broad substrate specificity. Catalyzes the reduction of a wide variety of carbonyl compounds including quinones, prostaglandins, menadione, plus various xenobiotics. Catalyzes the reduction of the antitumor anthracyclines doxorubicin and daunorubicin to the cardiotoxic compounds doxorubicinol and daunorubicinol. Can convert prostaglandin E2 to prostaglandin F2-alpha. Can bind glutathione, which explains its higher affinity for glutathione-conjugated substrates. Catalyzes the reduction of S-nitrosoglutathione.
Gene Name:: CBR1
Uniprot ID:: P16152
Molecular weight:: 30374.73

Enzyme Details

2. Carbonyl reductase [NADPH] 1

General function:: Not Available
Specific function:: NADPH-dependent reductase with broad substrate specificity. Catalyzes the reduction of a wide variety of carbonyl compounds including quinones, prostaglandins, menadione, plus various xenobiotics. Catalyzes the reduction of the antitumor anthracyclines doxorubicin and daunorubicin to the cardiotoxic compounds doxorubicinol and daunorubicinol. Can convert prostaglandin E2 to prostaglandin F2-alpha (PubMed:1377683, PubMed:1597188). Can bind glutathione, which explains its higher affinity for glutathione-conjugated substrates. Catalyzes the reduction of S-nitrosoglutathione.
Gene Name:: CBR1
Uniprot ID:: Q28960
Molecular weight:: 31693.1

Showing metabocard for 13-Dihydrodaunorubicin (HMDB0244506)

MOL for HMDB0244506 (13-Dihydrodaunorubicin)

3D MOL for HMDB0244506 (13-Dihydrodaunorubicin)

3D SDF for HMDB0244506 (13-Dihydrodaunorubicin)

3D-SDF for HMDB0244506 (13-Dihydrodaunorubicin)

PDB for HMDB0244506 (13-Dihydrodaunorubicin)

3D PDB for HMDB0244506 (13-Dihydrodaunorubicin)

SMILES for HMDB0244506 (13-Dihydrodaunorubicin)

INCHI for HMDB0244506 (13-Dihydrodaunorubicin)

Structure for HMDB0244506 (13-Dihydrodaunorubicin)

3D Structure for HMDB0244506 (13-Dihydrodaunorubicin)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Derivatized

MS/MS Spectra

Enzymes