Hmdb loader

Showing metabocard for Pyranodelphinin B (HMDB0035419)

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IdentificationTaxonomyOntologyPhysical propertiesSpectraBiological propertiesConcentrationsLinksReferencesenzymes (1) Show 1 proteinXML
enzymes (1) Show 1 protein
Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 20:23:52 UTC
Update Date2022-03-07 02:54:30 UTC
HMDB IDHMDB0035419
Secondary Accession Numbers
  • HMDB35419
Metabolite Identification
Common NamePyranodelphinin B
DescriptionPyranodelphinin B belongs to the class of organic compounds known as flavonoid-3-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C3-position. Pyranodelphinin B has been detected, but not quantified in, fruits. This could make pyranodelphinin b a potential biomarker for the consumption of these foods. Based on a literature review a significant number of articles have been published on Pyranodelphinin B.
Structure
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MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0035419 (Pyranodelphinin B)


  Mrv0541 05061308262D          

 36 40  0  0  0  0            999 V2000
   -1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  8  1  1  0  0  0  0
  8  2  2  0  0  0  0
  9  3  2  0  0  0  0
  9  4  1  0  0  0  0
 10  5  2  0  0  0  0
 10  6  1  0  0  0  0
 11  2  1  0  0  0  0
 12  3  1  0  0  0  0
 13  4  2  0  0  0  0
 14  5  1  0  0  0  0
 15  6  2  0  0  0  0
 16  7  1  0  0  0  0
 17 11  2  0  0  0  0
 17 14  1  0  0  0  0
 17 15  1  0  0  0  0
 18 12  2  0  0  0  0
 18 13  1  0  0  0  0
 19 16  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22  9  1  0  0  0  0
 23 11  1  0  0  0  0
 23 22  2  0  0  0  0
 24 21  1  0  0  0  0
 25  7  1  0  0  0  0
 26 10  1  0  0  0  0
 27 12  1  0  0  0  0
 28 13  1  0  0  0  0
 29 18  1  0  0  0  0
 30 19  1  0  0  0  0
 31 20  1  0  0  0  0
 32 21  1  0  0  0  0
 33  8  1  0  0  0  0
 33 14  2  0  0  0  0
 34 15  1  0  0  0  0
 34 22  1  0  0  0  0
 35 16  1  0  0  0  0
 35 24  1  0  0  0  0
 36 23  1  0  0  0  0
 36 24  1  0  0  0  0
M  CHG  1  33   1
M  END
Download

3D MOL for HMDB0035419 (Pyranodelphinin B)

HMDB0035419
     RDKit          3D
Pyranodelphinin B
 59 63  0  0  0  0  0  0  0  0999 V2000
    0.3310    4.3068    2.6373 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2112    3.3874    1.8903 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6997    2.1944    1.4455 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4849    1.2865    0.7338 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7861    1.6533    0.5085 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6075    0.7767   -0.1946 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9107    1.1639   -0.4083 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3989    2.3773    0.0535 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7121    2.7342   -0.1794 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5846    3.2337    0.7447 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2709    2.8641    0.9713 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4534    3.6732    1.6419 O   0  0  0  0  0  3  0  0  0  0  0  0
    3.0510   -0.4025   -0.6173 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7303   -0.8024   -0.4044 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3512   -2.1013   -0.9513 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1022   -3.1879   -0.4868 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9123   -4.4756   -0.9285 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6817   -5.5395   -0.4420 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9266   -4.7082   -1.8826 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7350   -6.0030   -2.3265 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1867   -3.6441   -2.3425 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7909   -3.8804   -3.2901 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4006   -2.3496   -1.8780 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9222    0.0024    0.2596 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3567   -0.2299    0.5515 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5929   -0.2092    0.0322 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5005   -0.5782    1.0681 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6879    0.0994    1.0092 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6326   -0.5381    2.0155 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8105   -1.8684    1.6779 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2463    0.0222   -0.3872 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1101   -1.2562   -0.8738 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3858    0.9724   -1.2332 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0004    2.2195   -1.1749 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0109    1.1094   -0.5884 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1014    1.4567   -1.5681 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1323    5.1828    1.9626 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8107    4.7339    3.5410 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6620    3.8658    2.8406 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3251    1.9682    1.6675 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5753    0.5048   -0.9521 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0447    3.6175    0.1639 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9261    4.2049    1.1296 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8762   -3.0437    0.2546 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3873   -5.3269    0.2512 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2900   -6.7694   -1.9747 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9943   -4.7782   -3.6632 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1816   -1.5224   -2.2733 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7951   -0.9958   -0.7500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5820    1.1668    1.3154 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6095   -0.0302    2.0668 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1451   -0.4688    3.0156 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5756   -2.4453    2.4617 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3141    0.3280   -0.4486 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6154   -1.4116   -1.7137 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3288    0.6450   -2.2828 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9885    2.4747   -0.1985 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0954    1.8984    0.1477 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0540    2.4426   -1.6441 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  8 10  2  0
 10 11  1  0
 11 12  2  0
  6 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 17 19  2  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
 21 23  2  0
 14 24  2  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 28 31  1  0
 31 32  1  0
 31 33  1  0
 33 34  1  0
 33 35  1  0
 35 36  1  0
 12  2  1  0
 23 15  1  0
 35 26  1  0
 24  4  1  0
 11  5  1  0
  1 37  1  0
  1 38  1  0
  1 39  1  0
  3 40  1  0
  7 41  1  0
  9 42  1  0
 10 43  1  0
 16 44  1  0
 18 45  1  0
 20 46  1  0
 22 47  1  0
 23 48  1  0
 26 49  1  0
 28 50  1  0
 29 51  1  0
 29 52  1  0
 30 53  1  0
 31 54  1  0
 32 55  1  0
 33 56  1  0
 34 57  1  0
 35 58  1  0
 36 59  1  0
M  CHG  1  12   1
M  END
Download

3D SDF for HMDB0035419 (Pyranodelphinin B)


  Mrv0541 05061308262D          

 36 40  0  0  0  0            999 V2000
   -1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  8  1  1  0  0  0  0
  8  2  2  0  0  0  0
  9  3  2  0  0  0  0
  9  4  1  0  0  0  0
 10  5  2  0  0  0  0
 10  6  1  0  0  0  0
 11  2  1  0  0  0  0
 12  3  1  0  0  0  0
 13  4  2  0  0  0  0
 14  5  1  0  0  0  0
 15  6  2  0  0  0  0
 16  7  1  0  0  0  0
 17 11  2  0  0  0  0
 17 14  1  0  0  0  0
 17 15  1  0  0  0  0
 18 12  2  0  0  0  0
 18 13  1  0  0  0  0
 19 16  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22  9  1  0  0  0  0
 23 11  1  0  0  0  0
 23 22  2  0  0  0  0
 24 21  1  0  0  0  0
 25  7  1  0  0  0  0
 26 10  1  0  0  0  0
 27 12  1  0  0  0  0
 28 13  1  0  0  0  0
 29 18  1  0  0  0  0
 30 19  1  0  0  0  0
 31 20  1  0  0  0  0
 32 21  1  0  0  0  0
 33  8  1  0  0  0  0
 33 14  2  0  0  0  0
 34 15  1  0  0  0  0
 34 22  1  0  0  0  0
 35 16  1  0  0  0  0
 35 24  1  0  0  0  0
 36 23  1  0  0  0  0
 36 24  1  0  0  0  0
M  CHG  1  33   1
M  END
> <DATABASE_ID>
HMDB0035419

> <DATABASE_NAME>
hmdb

> <SMILES>
CC1=CC2=C3C(OC(C4=CC(O)=C(O)C(O)=C4)=C2OC2OC(CO)C(O)C(O)C2O)=CC(O)=CC3=[O+]1

> <INCHI_IDENTIFIER>
InChI=1S/C24H22O12/c1-8-2-11-17-14(33-8)5-10(26)6-15(17)34-22(9-3-12(27)18(29)13(28)4-9)23(11)36-24-21(32)20(31)19(30)16(7-25)35-24/h2-6,16,19-21,24-25,30-32H,7H2,1H3,(H3-,26,27,28,29)/p+1

> <INCHI_KEY>
GDTLCJKHXQSPKO-UHFFFAOYSA-O

> <FORMULA>
C24H23O12

> <MOLECULAR_WEIGHT>
503.4322

> <EXACT_MASS>
503.1189512

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_AVERAGE_POLARIZABILITY>
48.670808983079326

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
1

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
11-hydroxy-3-methyl-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-7-(3,4,5-trihydroxyphenyl)-2λ⁴,8-dioxatricyclo[7.3.1.0⁵,¹³]trideca-1,3,5(13),6,9,11-hexaen-2-ylium

> <ALOGPS_LOGP>
1.35

> <JCHEM_LOGP>
-1.0283000000000002

> <ALOGPS_LOGS>
-3.13

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
8.465499815746398

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.867187798122312

> <JCHEM_PKA_STRONGEST_BASIC>
-2.9810923574464567

> <JCHEM_POLAR_SURFACE_AREA>
202.67

> <JCHEM_REFRACTIVITY>
132.12279999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
4.03e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
11-hydroxy-3-methyl-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-7-(3,4,5-trihydroxyphenyl)-2λ⁴,8-dioxatricyclo[7.3.1.0⁵,¹³]trideca-1,3,5(13),6,9,11-hexaen-2-ylium

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0035419 (Pyranodelphinin B)

HMDB0035419
     RDKit          3D
Pyranodelphinin B
 59 63  0  0  0  0  0  0  0  0999 V2000
    0.3310    4.3068    2.6373 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2112    3.3874    1.8903 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6997    2.1944    1.4455 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4849    1.2865    0.7338 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7861    1.6533    0.5085 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6075    0.7767   -0.1946 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9107    1.1639   -0.4083 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3989    2.3773    0.0535 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7121    2.7342   -0.1794 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5846    3.2337    0.7447 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2709    2.8641    0.9713 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4534    3.6732    1.6419 O   0  0  0  0  0  3  0  0  0  0  0  0
    3.0510   -0.4025   -0.6173 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7303   -0.8024   -0.4044 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3512   -2.1013   -0.9513 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1022   -3.1879   -0.4868 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9123   -4.4756   -0.9285 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6817   -5.5395   -0.4420 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9266   -4.7082   -1.8826 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7350   -6.0030   -2.3265 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1867   -3.6441   -2.3425 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7909   -3.8804   -3.2901 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4006   -2.3496   -1.8780 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9222    0.0024    0.2596 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3567   -0.2299    0.5515 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5929   -0.2092    0.0322 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5005   -0.5782    1.0681 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6879    0.0994    1.0092 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6326   -0.5381    2.0155 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8105   -1.8684    1.6779 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2463    0.0222   -0.3872 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1101   -1.2562   -0.8738 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3858    0.9724   -1.2332 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0004    2.2195   -1.1749 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0109    1.1094   -0.5884 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1014    1.4567   -1.5681 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1323    5.1828    1.9626 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8107    4.7339    3.5410 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6620    3.8658    2.8406 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3251    1.9682    1.6675 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5753    0.5048   -0.9521 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0447    3.6175    0.1639 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9261    4.2049    1.1296 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8762   -3.0437    0.2546 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3873   -5.3269    0.2512 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2900   -6.7694   -1.9747 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9943   -4.7782   -3.6632 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1816   -1.5224   -2.2733 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7951   -0.9958   -0.7500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5820    1.1668    1.3154 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6095   -0.0302    2.0668 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1451   -0.4688    3.0156 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5756   -2.4453    2.4617 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3141    0.3280   -0.4486 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6154   -1.4116   -1.7137 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3288    0.6450   -2.2828 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9885    2.4747   -0.1985 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0954    1.8984    0.1477 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0540    2.4426   -1.6441 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  8 10  2  0
 10 11  1  0
 11 12  2  0
  6 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 17 19  2  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
 21 23  2  0
 14 24  2  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 28 31  1  0
 31 32  1  0
 31 33  1  0
 33 34  1  0
 33 35  1  0
 35 36  1  0
 12  2  1  0
 23 15  1  0
 35 26  1  0
 24  4  1  0
 11  5  1  0
  1 37  1  0
  1 38  1  0
  1 39  1  0
  3 40  1  0
  7 41  1  0
  9 42  1  0
 10 43  1  0
 16 44  1  0
 18 45  1  0
 20 46  1  0
 22 47  1  0
 23 48  1  0
 26 49  1  0
 28 50  1  0
 29 51  1  0
 29 52  1  0
 30 53  1  0
 31 54  1  0
 32 55  1  0
 33 56  1  0
 34 57  1  0
 35 58  1  0
 36 59  1  0
M  CHG  1  12   1
M  END
Download

PDB for HMDB0035419 (Pyranodelphinin B)

HEADER    PROTEIN                                 06-MAY-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-MAY-13         0                                  
HETATM    1  C   UNK     0      -2.667   0.000   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       5.335   1.540   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       6.668  -0.770   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       0.000  -4.620   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       2.667  -4.620   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -2.667   1.540   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       5.335   0.000   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       1.334  -5.390   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       6.668   2.310   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       8.002   0.000   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       0.000  -3.080   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -1.334   2.310   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       8.002   1.540   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -1.334   3.850   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       0.000   4.620   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       1.334   3.850   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0      -4.001   2.310   0.000  0.00  0.00           O+0
HETATM   26  O   UNK     0       1.334  -6.930   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0       6.668   3.850   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0       9.336  -0.770   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0       9.336   2.310   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0      -2.667   4.620   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0       0.000   6.160   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0       2.667   4.620   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0      -1.334  -2.310   0.000  0.00  0.00           O+1
HETATM   34  O   UNK     0       4.001  -2.310   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0       0.000   1.540   0.000  0.00  0.00           O+0
HETATM   36  O   UNK     0       2.667   1.540   0.000  0.00  0.00           O+0
CONECT    1    8                                                            
CONECT    2    8   11                                                       
CONECT    3    9   12                                                       
CONECT    4    9   13                                                       
CONECT    5   10   14                                                       
CONECT    6   10   15                                                       
CONECT    7   16   25                                                       
CONECT    8    1    2   33                                                  
CONECT    9    3    4   22                                                  
CONECT   10    5    6   26                                                  
CONECT   11    2   17   23                                                  
CONECT   12    3   18   27                                                  
CONECT   13    4   18   28                                                  
CONECT   14    5   17   33                                                  
CONECT   15    6   17   34                                                  
CONECT   16    7   19   35                                                  
CONECT   17   11   14   15                                                  
CONECT   18   12   13   29                                                  
CONECT   19   16   20   30                                                  
CONECT   20   19   21   31                                                  
CONECT   21   20   24   32                                                  
CONECT   22    9   23   34                                                  
CONECT   23   11   22   36                                                  
CONECT   24   21   35   36                                                  
CONECT   25    7                                                            
CONECT   26   10                                                            
CONECT   27   12                                                            
CONECT   28   13                                                            
CONECT   29   18                                                            
CONECT   30   19                                                            
CONECT   31   20                                                            
CONECT   32   21                                                            
CONECT   33    8   14                                                       
CONECT   34   15   22                                                       
CONECT   35   16   24                                                       
CONECT   36   23   24                                                       
MASTER        0    0    0    0    0    0    0    0   36    0   80    0
END
Download

3D PDB for HMDB0035419 (Pyranodelphinin B)

COMPND    HMDB0035419
HETATM    1  C1  UNL     1       0.331   4.307   2.637  1.00  0.00           C  
HETATM    2  C2  UNL     1       1.211   3.387   1.890  1.00  0.00           C  
HETATM    3  C3  UNL     1       0.700   2.194   1.445  1.00  0.00           C  
HETATM    4  C4  UNL     1       1.485   1.286   0.734  1.00  0.00           C  
HETATM    5  C5  UNL     1       2.786   1.653   0.509  1.00  0.00           C  
HETATM    6  C6  UNL     1       3.608   0.777  -0.195  1.00  0.00           C  
HETATM    7  C7  UNL     1       4.911   1.164  -0.408  1.00  0.00           C  
HETATM    8  C8  UNL     1       5.399   2.377   0.054  1.00  0.00           C  
HETATM    9  O1  UNL     1       6.712   2.734  -0.179  1.00  0.00           O  
HETATM   10  C9  UNL     1       4.585   3.234   0.745  1.00  0.00           C  
HETATM   11  C10 UNL     1       3.271   2.864   0.971  1.00  0.00           C  
HETATM   12  O2  UNL     1       2.453   3.673   1.642  1.00  0.00           O1+
HETATM   13  O3  UNL     1       3.051  -0.402  -0.617  1.00  0.00           O  
HETATM   14  C11 UNL     1       1.730  -0.802  -0.404  1.00  0.00           C  
HETATM   15  C12 UNL     1       1.351  -2.101  -0.951  1.00  0.00           C  
HETATM   16  C13 UNL     1       2.102  -3.188  -0.487  1.00  0.00           C  
HETATM   17  C14 UNL     1       1.912  -4.476  -0.928  1.00  0.00           C  
HETATM   18  O4  UNL     1       2.682  -5.540  -0.442  1.00  0.00           O  
HETATM   19  C15 UNL     1       0.927  -4.708  -1.883  1.00  0.00           C  
HETATM   20  O5  UNL     1       0.735  -6.003  -2.326  1.00  0.00           O  
HETATM   21  C16 UNL     1       0.187  -3.644  -2.342  1.00  0.00           C  
HETATM   22  O6  UNL     1      -0.791  -3.880  -3.290  1.00  0.00           O  
HETATM   23  C17 UNL     1       0.401  -2.350  -1.878  1.00  0.00           C  
HETATM   24  C18 UNL     1       0.922   0.002   0.260  1.00  0.00           C  
HETATM   25  O7  UNL     1      -0.357  -0.230   0.552  1.00  0.00           O  
HETATM   26  C19 UNL     1      -1.593  -0.209   0.032  1.00  0.00           C  
HETATM   27  O8  UNL     1      -2.501  -0.578   1.068  1.00  0.00           O  
HETATM   28  C20 UNL     1      -3.688   0.099   1.009  1.00  0.00           C  
HETATM   29  C21 UNL     1      -4.633  -0.538   2.015  1.00  0.00           C  
HETATM   30  O9  UNL     1      -4.810  -1.868   1.678  1.00  0.00           O  
HETATM   31  C22 UNL     1      -4.246   0.022  -0.387  1.00  0.00           C  
HETATM   32  O10 UNL     1      -4.110  -1.256  -0.874  1.00  0.00           O  
HETATM   33  C23 UNL     1      -3.386   0.972  -1.233  1.00  0.00           C  
HETATM   34  O11 UNL     1      -4.000   2.219  -1.175  1.00  0.00           O  
HETATM   35  C24 UNL     1      -2.011   1.109  -0.588  1.00  0.00           C  
HETATM   36  O12 UNL     1      -1.101   1.457  -1.568  1.00  0.00           O  
HETATM   37  H1  UNL     1       0.132   5.183   1.963  1.00  0.00           H  
HETATM   38  H2  UNL     1       0.811   4.734   3.541  1.00  0.00           H  
HETATM   39  H3  UNL     1      -0.662   3.866   2.841  1.00  0.00           H  
HETATM   40  H4  UNL     1      -0.325   1.968   1.667  1.00  0.00           H  
HETATM   41  H5  UNL     1       5.575   0.505  -0.952  1.00  0.00           H  
HETATM   42  H6  UNL     1       7.045   3.617   0.164  1.00  0.00           H  
HETATM   43  H7  UNL     1       4.926   4.205   1.130  1.00  0.00           H  
HETATM   44  H8  UNL     1       2.876  -3.044   0.255  1.00  0.00           H  
HETATM   45  H9  UNL     1       3.387  -5.327   0.251  1.00  0.00           H  
HETATM   46  H10 UNL     1       1.290  -6.769  -1.975  1.00  0.00           H  
HETATM   47  H11 UNL     1      -0.994  -4.778  -3.663  1.00  0.00           H  
HETATM   48  H12 UNL     1      -0.182  -1.522  -2.273  1.00  0.00           H  
HETATM   49  H13 UNL     1      -1.795  -0.996  -0.750  1.00  0.00           H  
HETATM   50  H14 UNL     1      -3.582   1.167   1.315  1.00  0.00           H  
HETATM   51  H15 UNL     1      -5.610  -0.030   2.067  1.00  0.00           H  
HETATM   52  H16 UNL     1      -4.145  -0.469   3.016  1.00  0.00           H  
HETATM   53  H17 UNL     1      -4.576  -2.445   2.462  1.00  0.00           H  
HETATM   54  H18 UNL     1      -5.314   0.328  -0.449  1.00  0.00           H  
HETATM   55  H19 UNL     1      -4.615  -1.412  -1.714  1.00  0.00           H  
HETATM   56  H20 UNL     1      -3.329   0.645  -2.283  1.00  0.00           H  
HETATM   57  H21 UNL     1      -3.988   2.475  -0.199  1.00  0.00           H  
HETATM   58  H22 UNL     1      -2.095   1.898   0.148  1.00  0.00           H  
HETATM   59  H23 UNL     1      -1.054   2.443  -1.644  1.00  0.00           H  
CONECT    1    2   37   38   39
CONECT    2    3    3   12
CONECT    3    4   40
CONECT    4    5    5   24
CONECT    5    6   11
CONECT    6    7    7   13
CONECT    7    8   41
CONECT    8    9   10   10
CONECT    9   42
CONECT   10   11   43
CONECT   11   12   12
CONECT   13   14
CONECT   14   15   24   24
CONECT   15   16   16   23
CONECT   16   17   44
CONECT   17   18   19   19
CONECT   18   45
CONECT   19   20   21
CONECT   20   46
CONECT   21   22   23   23
CONECT   22   47
CONECT   23   48
CONECT   24   25
CONECT   25   26
CONECT   26   27   35   49
CONECT   27   28
CONECT   28   29   31   50
CONECT   29   30   51   52
CONECT   30   53
CONECT   31   32   33   54
CONECT   32   55
CONECT   33   34   35   56
CONECT   34   57
CONECT   35   36   58
CONECT   36   59
END
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SMILES for HMDB0035419 (Pyranodelphinin B)

CC1=CC2=C3C(OC(C4=CC(O)=C(O)C(O)=C4)=C2OC2OC(CO)C(O)C(O)C2O)=CC(O)=CC3=[O+]1
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INCHI for HMDB0035419 (Pyranodelphinin B)

InChI=1S/C24H22O12/c1-8-2-11-17-14(33-8)5-10(26)6-15(17)34-22(9-3-12(27)18(29)13(28)4-9)23(11)36-24-21(32)20(31)19(30)16(7-25)35-24/h2-6,16,19-21,24-25,30-32H,7H2,1H3,(H3-,26,27,28,29)/p+1
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View in JSmolView NMR AssignmentsView Stereo Labels
SynonymsNot Available
Chemical FormulaC24H23O12
Average Molecular Weight503.4322
Monoisotopic Molecular Weight503.1189512
IUPAC Name11-hydroxy-3-methyl-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-7-(3,4,5-trihydroxyphenyl)-2λ⁴,8-dioxatricyclo[7.3.1.0⁵,¹³]trideca-1,3,5(13),6,9,11-hexaen-2-ylium
Traditional Name11-hydroxy-3-methyl-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-7-(3,4,5-trihydroxyphenyl)-2λ⁴,8-dioxatricyclo[7.3.1.0⁵,¹³]trideca-1,3,5(13),6,9,11-hexaen-2-ylium
CAS Registry NumberNot Available
SMILES
CC1=CC2=C3C(OC(C4=CC(O)=C(O)C(O)=C4)=C2OC2OC(CO)C(O)C(O)C2O)=CC(O)=CC3=[O+]1
InChI Identifier
InChI=1S/C24H22O12/c1-8-2-11-17-14(33-8)5-10(26)6-15(17)34-22(9-3-12(27)18(29)13(28)4-9)23(11)36-24-21(32)20(31)19(30)16(7-25)35-24/h2-6,16,19-21,24-25,30-32H,7H2,1H3,(H3-,26,27,28,29)/p+1
InChI KeyGDTLCJKHXQSPKO-UHFFFAOYSA-O
Chemical Taxonomy
Description Belongs to the class of organic compounds known as flavonoid-3-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C3-position.
KingdomOrganic compounds
Super ClassPhenylpropanoids and polyketides
ClassFlavonoids
Sub ClassFlavonoid glycosides
Direct ParentFlavonoid-3-O-glycosides
Alternative Parents
Substituents
  • Flavonoid-3-o-glycoside
  • 3'-hydroxyflavonoid
  • 4'-hydroxyflavonoid
  • 7-hydroxyflavonoid
  • Hydroxyflavonoid
  • Hexose monosaccharide
  • Glycosyl compound
  • O-glycosyl compound
  • Benzopyran
  • 1-benzopyran
  • Benzenetriol
  • Pyrogallol derivative
  • 1-hydroxy-4-unsubstituted benzenoid
  • 1-hydroxy-2-unsubstituted benzenoid
  • Phenol
  • Monocyclic benzene moiety
  • Oxane
  • Benzenoid
  • Monosaccharide
  • Heteroaromatic compound
  • Secondary alcohol
  • Organoheterocyclic compound
  • Oxacycle
  • Acetal
  • Polyol
  • Organooxygen compound
  • Hydrocarbon derivative
  • Organic oxygen compound
  • Alcohol
  • Primary alcohol
  • Organic cation
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
Biological locationRoute of exposureSource
ProcessNot Available
Role
Biological role
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility0.4 g/LALOGPS
logP1.35ALOGPS
logP-1ChemAxon
logS-3.1ALOGPS
pKa (Strongest Acidic)2.87ChemAxon
pKa (Strongest Basic)-3ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count11ChemAxon
Hydrogen Donor Count8ChemAxon
Polar Surface Area202.67 ŲChemAxon
Rotatable Bond Count4ChemAxon
Refractivity132.12 m³·mol⁻¹ChemAxon
Polarizability48.67 ųChemAxon
Number of Rings5ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DeepCCS[M+H]+206.14130932474
DeepCCS[M-H]-203.74530932474
DeepCCS[M-2H]-236.62830932474
DeepCCS[M+Na]+212.05330932474
AllCCS[M+H]+214.532859911
AllCCS[M+H-H2O]+212.532859911
AllCCS[M+NH4]+216.332859911
AllCCS[M+Na]+216.932859911
AllCCS[M-H]-212.432859911
AllCCS[M+Na-2H]-213.132859911
AllCCS[M+HCOO]-214.132859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Pyranodelphinin BCC1=CC2=C3C(OC(C4=CC(O)=C(O)C(O)=C4)=C2OC2OC(CO)C(O)C(O)C2O)=CC(O)=CC3=[O+]15073.1Standard polar33892256
Pyranodelphinin BCC1=CC2=C3C(OC(C4=CC(O)=C(O)C(O)=C4)=C2OC2OC(CO)C(O)C(O)C2O)=CC(O)=CC3=[O+]14324.7Standard non polar33892256
Pyranodelphinin BCC1=CC2=C3C(OC(C4=CC(O)=C(O)C(O)=C4)=C2OC2OC(CO)C(O)C(O)C2O)=CC(O)=CC3=[O+]14963.7Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Pyranodelphinin B,1TMS,isomer #1CC1=CC2=C3C(=CC(O)=CC3=[O+]1)OC(C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1)=C2OC1OC(CO)C(O)C(O)C1O4710.6Semi standard non polar33892256
Pyranodelphinin B,1TMS,isomer #2CC1=CC2=C3C(=CC(O)=CC3=[O+]1)OC(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)=C2OC1OC(CO)C(O)C(O)C1O4640.5Semi standard non polar33892256
Pyranodelphinin B,1TMS,isomer #3CC1=CC2=C3C(=CC(O)=CC3=[O+]1)OC(C1=CC(O)=C(O)C(O)=C1)=C2OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O4701.7Semi standard non polar33892256
Pyranodelphinin B,1TMS,isomer #4CC1=CC2=C3C(=CC(O)=CC3=[O+]1)OC(C1=CC(O)=C(O)C(O)=C1)=C2OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O4698.3Semi standard non polar33892256
Pyranodelphinin B,1TMS,isomer #5CC1=CC2=C3C(=CC(O)=CC3=[O+]1)OC(C1=CC(O)=C(O)C(O)=C1)=C2OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O4707.8Semi standard non polar33892256
Pyranodelphinin B,1TMS,isomer #6CC1=CC2=C3C(=CC(O)=CC3=[O+]1)OC(C1=CC(O)=C(O)C(O)=C1)=C2OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C4712.0Semi standard non polar33892256
Pyranodelphinin B,1TMS,isomer #7CC1=CC2=C3C(=CC(O[Si](C)(C)C)=CC3=[O+]1)OC(C1=CC(O)=C(O)C(O)=C1)=C2OC1OC(CO)C(O)C(O)C1O4744.4Semi standard non polar33892256
Pyranodelphinin B,2TMS,isomer #1CC1=CC2=C3C(=CC(O[Si](C)(C)C)=CC3=[O+]1)OC(C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1)=C2OC1OC(CO)C(O)C(O)C1O4543.2Semi standard non polar33892256
Pyranodelphinin B,2TMS,isomer #10CC1=CC2=C3C(=CC(O)=CC3=[O+]1)OC(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)=C2OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O4484.2Semi standard non polar33892256
Pyranodelphinin B,2TMS,isomer #11CC1=CC2=C3C(=CC(O)=CC3=[O+]1)OC(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)=C2OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O4481.2Semi standard non polar33892256
Pyranodelphinin B,2TMS,isomer #12CC1=CC2=C3C(=CC(O)=CC3=[O+]1)OC(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)=C2OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C4500.6Semi standard non polar33892256
Pyranodelphinin B,2TMS,isomer #13CC1=CC2=C3C(=CC(O[Si](C)(C)C)=CC3=[O+]1)OC(C1=CC(O)=C(O)C(O)=C1)=C2OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O4591.6Semi standard non polar33892256
Pyranodelphinin B,2TMS,isomer #14CC1=CC2=C3C(=CC(O)=CC3=[O+]1)OC(C1=CC(O)=C(O)C(O)=C1)=C2OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O4589.5Semi standard non polar33892256
Pyranodelphinin B,2TMS,isomer #15CC1=CC2=C3C(=CC(O)=CC3=[O+]1)OC(C1=CC(O)=C(O)C(O)=C1)=C2OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O4584.9Semi standard non polar33892256
Pyranodelphinin B,2TMS,isomer #16CC1=CC2=C3C(=CC(O)=CC3=[O+]1)OC(C1=CC(O)=C(O)C(O)=C1)=C2OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C4599.9Semi standard non polar33892256
Pyranodelphinin B,2TMS,isomer #17CC1=CC2=C3C(=CC(O[Si](C)(C)C)=CC3=[O+]1)OC(C1=CC(O)=C(O)C(O)=C1)=C2OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O4580.1Semi standard non polar33892256
Pyranodelphinin B,2TMS,isomer #18CC1=CC2=C3C(=CC(O)=CC3=[O+]1)OC(C1=CC(O)=C(O)C(O)=C1)=C2OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4582.5Semi standard non polar33892256
Pyranodelphinin B,2TMS,isomer #19CC1=CC2=C3C(=CC(O)=CC3=[O+]1)OC(C1=CC(O)=C(O)C(O)=C1)=C2OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4595.5Semi standard non polar33892256
Pyranodelphinin B,2TMS,isomer #2CC1=CC2=C3C(=CC(O)=CC3=[O+]1)OC(C1=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1)=C2OC1OC(CO)C(O)C(O)C1O4565.3Semi standard non polar33892256
Pyranodelphinin B,2TMS,isomer #20CC1=CC2=C3C(=CC(O[Si](C)(C)C)=CC3=[O+]1)OC(C1=CC(O)=C(O)C(O)=C1)=C2OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O4567.1Semi standard non polar33892256
Pyranodelphinin B,2TMS,isomer #21CC1=CC2=C3C(=CC(O)=CC3=[O+]1)OC(C1=CC(O)=C(O)C(O)=C1)=C2OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4603.5Semi standard non polar33892256
Pyranodelphinin B,2TMS,isomer #22CC1=CC2=C3C(=CC(O[Si](C)(C)C)=CC3=[O+]1)OC(C1=CC(O)=C(O)C(O)=C1)=C2OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C4595.5Semi standard non polar33892256
Pyranodelphinin B,2TMS,isomer #3CC1=CC2=C3C(=CC(O)=CC3=[O+]1)OC(C1=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)=C2OC1OC(CO)C(O)C(O)C1O4508.0Semi standard non polar33892256
Pyranodelphinin B,2TMS,isomer #4CC1=CC2=C3C(=CC(O)=CC3=[O+]1)OC(C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1)=C2OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O4560.7Semi standard non polar33892256
Pyranodelphinin B,2TMS,isomer #5CC1=CC2=C3C(=CC(O)=CC3=[O+]1)OC(C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1)=C2OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O4539.1Semi standard non polar33892256
Pyranodelphinin B,2TMS,isomer #6CC1=CC2=C3C(=CC(O)=CC3=[O+]1)OC(C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1)=C2OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O4528.6Semi standard non polar33892256
Pyranodelphinin B,2TMS,isomer #7CC1=CC2=C3C(=CC(O)=CC3=[O+]1)OC(C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1)=C2OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C4557.9Semi standard non polar33892256
Pyranodelphinin B,2TMS,isomer #8CC1=CC2=C3C(=CC(O[Si](C)(C)C)=CC3=[O+]1)OC(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)=C2OC1OC(CO)C(O)C(O)C1O4511.0Semi standard non polar33892256
Pyranodelphinin B,2TMS,isomer #9CC1=CC2=C3C(=CC(O)=CC3=[O+]1)OC(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)=C2OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O4504.5Semi standard non polar33892256
Pyranodelphinin B,3TMS,isomer #1CC1=CC2=C3C(=CC(O[Si](C)(C)C)=CC3=[O+]1)OC(C1=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1)=C2OC1OC(CO)C(O)C(O)C1O4389.6Semi standard non polar33892256
Pyranodelphinin B,3TMS,isomer #10CC1=CC2=C3C(=CC(O)=CC3=[O+]1)OC(C1=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1)=C2OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O4357.5Semi standard non polar33892256
Pyranodelphinin B,3TMS,isomer #11CC1=CC2=C3C(=CC(O)=CC3=[O+]1)OC(C1=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1)=C2OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C4407.2Semi standard non polar33892256
Pyranodelphinin B,3TMS,isomer #12CC1=CC2=C3C(=CC(O)=CC3=[O+]1)OC(C1=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)=C2OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O4363.5Semi standard non polar33892256
Pyranodelphinin B,3TMS,isomer #13CC1=CC2=C3C(=CC(O)=CC3=[O+]1)OC(C1=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)=C2OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O4343.9Semi standard non polar33892256
Pyranodelphinin B,3TMS,isomer #14CC1=CC2=C3C(=CC(O)=CC3=[O+]1)OC(C1=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)=C2OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O4318.0Semi standard non polar33892256
Pyranodelphinin B,3TMS,isomer #15CC1=CC2=C3C(=CC(O)=CC3=[O+]1)OC(C1=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)=C2OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C4367.8Semi standard non polar33892256
Pyranodelphinin B,3TMS,isomer #16CC1=CC2=C3C(=CC(O)=CC3=[O+]1)OC(C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1)=C2OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O4435.6Semi standard non polar33892256
Pyranodelphinin B,3TMS,isomer #17CC1=CC2=C3C(=CC(O)=CC3=[O+]1)OC(C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1)=C2OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O4406.2Semi standard non polar33892256
Pyranodelphinin B,3TMS,isomer #18CC1=CC2=C3C(=CC(O)=CC3=[O+]1)OC(C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1)=C2OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C4458.7Semi standard non polar33892256
Pyranodelphinin B,3TMS,isomer #19CC1=CC2=C3C(=CC(O)=CC3=[O+]1)OC(C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1)=C2OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4408.5Semi standard non polar33892256
Pyranodelphinin B,3TMS,isomer #2CC1=CC2=C3C(=CC(O[Si](C)(C)C)=CC3=[O+]1)OC(C1=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)=C2OC1OC(CO)C(O)C(O)C1O4343.4Semi standard non polar33892256
Pyranodelphinin B,3TMS,isomer #20CC1=CC2=C3C(=CC(O)=CC3=[O+]1)OC(C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1)=C2OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4435.1Semi standard non polar33892256
Pyranodelphinin B,3TMS,isomer #21CC1=CC2=C3C(=CC(O)=CC3=[O+]1)OC(C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1)=C2OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4429.6Semi standard non polar33892256
Pyranodelphinin B,3TMS,isomer #22CC1=CC2=C3C(=CC(O[Si](C)(C)C)=CC3=[O+]1)OC(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)=C2OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O4345.7Semi standard non polar33892256
Pyranodelphinin B,3TMS,isomer #23CC1=CC2=C3C(=CC(O[Si](C)(C)C)=CC3=[O+]1)OC(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)=C2OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O4333.0Semi standard non polar33892256
Pyranodelphinin B,3TMS,isomer #24CC1=CC2=C3C(=CC(O[Si](C)(C)C)=CC3=[O+]1)OC(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)=C2OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O4330.0Semi standard non polar33892256
Pyranodelphinin B,3TMS,isomer #25CC1=CC2=C3C(=CC(O[Si](C)(C)C)=CC3=[O+]1)OC(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)=C2OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C4341.0Semi standard non polar33892256
Pyranodelphinin B,3TMS,isomer #26CC1=CC2=C3C(=CC(O)=CC3=[O+]1)OC(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)=C2OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O4368.7Semi standard non polar33892256
Pyranodelphinin B,3TMS,isomer #27CC1=CC2=C3C(=CC(O)=CC3=[O+]1)OC(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)=C2OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O4349.5Semi standard non polar33892256
Pyranodelphinin B,3TMS,isomer #28CC1=CC2=C3C(=CC(O)=CC3=[O+]1)OC(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)=C2OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C4395.4Semi standard non polar33892256
Pyranodelphinin B,3TMS,isomer #29CC1=CC2=C3C(=CC(O)=CC3=[O+]1)OC(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)=C2OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4337.6Semi standard non polar33892256
Pyranodelphinin B,3TMS,isomer #3CC1=CC2=C3C(=CC(O[Si](C)(C)C)=CC3=[O+]1)OC(C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1)=C2OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O4396.5Semi standard non polar33892256
Pyranodelphinin B,3TMS,isomer #30CC1=CC2=C3C(=CC(O)=CC3=[O+]1)OC(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)=C2OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4369.1Semi standard non polar33892256
Pyranodelphinin B,3TMS,isomer #31CC1=CC2=C3C(=CC(O)=CC3=[O+]1)OC(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)=C2OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4359.3Semi standard non polar33892256
Pyranodelphinin B,3TMS,isomer #32CC1=CC2=C3C(=CC(O[Si](C)(C)C)=CC3=[O+]1)OC(C1=CC(O)=C(O)C(O)=C1)=C2OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O4493.3Semi standard non polar33892256
Pyranodelphinin B,3TMS,isomer #33CC1=CC2=C3C(=CC(O[Si](C)(C)C)=CC3=[O+]1)OC(C1=CC(O)=C(O)C(O)=C1)=C2OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O4468.4Semi standard non polar33892256
Pyranodelphinin B,3TMS,isomer #34CC1=CC2=C3C(=CC(O[Si](C)(C)C)=CC3=[O+]1)OC(C1=CC(O)=C(O)C(O)=C1)=C2OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C4516.4Semi standard non polar33892256
Pyranodelphinin B,3TMS,isomer #35CC1=CC2=C3C(=CC(O)=CC3=[O+]1)OC(C1=CC(O)=C(O)C(O)=C1)=C2OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4529.0Semi standard non polar33892256
Pyranodelphinin B,3TMS,isomer #36CC1=CC2=C3C(=CC(O)=CC3=[O+]1)OC(C1=CC(O)=C(O)C(O)=C1)=C2OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4574.3Semi standard non polar33892256
Pyranodelphinin B,3TMS,isomer #37CC1=CC2=C3C(=CC(O)=CC3=[O+]1)OC(C1=CC(O)=C(O)C(O)=C1)=C2OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4528.6Semi standard non polar33892256
Pyranodelphinin B,3TMS,isomer #38CC1=CC2=C3C(=CC(O[Si](C)(C)C)=CC3=[O+]1)OC(C1=CC(O)=C(O)C(O)=C1)=C2OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4481.1Semi standard non polar33892256
Pyranodelphinin B,3TMS,isomer #39CC1=CC2=C3C(=CC(O[Si](C)(C)C)=CC3=[O+]1)OC(C1=CC(O)=C(O)C(O)=C1)=C2OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4504.0Semi standard non polar33892256
Pyranodelphinin B,3TMS,isomer #4CC1=CC2=C3C(=CC(O[Si](C)(C)C)=CC3=[O+]1)OC(C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1)=C2OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O4389.1Semi standard non polar33892256
Pyranodelphinin B,3TMS,isomer #40CC1=CC2=C3C(=CC(O)=CC3=[O+]1)OC(C1=CC(O)=C(O)C(O)=C1)=C2OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C4521.9Semi standard non polar33892256
Pyranodelphinin B,3TMS,isomer #41CC1=CC2=C3C(=CC(O[Si](C)(C)C)=CC3=[O+]1)OC(C1=CC(O)=C(O)C(O)=C1)=C2OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4497.9Semi standard non polar33892256
Pyranodelphinin B,3TMS,isomer #5CC1=CC2=C3C(=CC(O[Si](C)(C)C)=CC3=[O+]1)OC(C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1)=C2OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O4351.2Semi standard non polar33892256
Pyranodelphinin B,3TMS,isomer #6CC1=CC2=C3C(=CC(O[Si](C)(C)C)=CC3=[O+]1)OC(C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1)=C2OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C4410.4Semi standard non polar33892256
Pyranodelphinin B,3TMS,isomer #7CC1=CC2=C3C(=CC(O)=CC3=[O+]1)OC(C1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)=C2OC1OC(CO)C(O)C(O)C1O4405.0Semi standard non polar33892256
Pyranodelphinin B,3TMS,isomer #8CC1=CC2=C3C(=CC(O)=CC3=[O+]1)OC(C1=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1)=C2OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O4407.5Semi standard non polar33892256
Pyranodelphinin B,3TMS,isomer #9CC1=CC2=C3C(=CC(O)=CC3=[O+]1)OC(C1=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1)=C2OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O4382.6Semi standard non polar33892256
Pyranodelphinin B,4TMS,isomer #1CC1=CC2=C3C(=CC(O[Si](C)(C)C)=CC3=[O+]1)OC(C1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)=C2OC1OC(CO)C(O)C(O)C1O4311.5Semi standard non polar33892256
Pyranodelphinin B,4TMS,isomer #10CC1=CC2=C3C(=CC(O[Si](C)(C)C)=CC3=[O+]1)OC(C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1)=C2OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O4315.7Semi standard non polar33892256
Pyranodelphinin B,4TMS,isomer #11CC1=CC2=C3C(=CC(O[Si](C)(C)C)=CC3=[O+]1)OC(C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1)=C2OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O4277.3Semi standard non polar33892256
Pyranodelphinin B,4TMS,isomer #12CC1=CC2=C3C(=CC(O[Si](C)(C)C)=CC3=[O+]1)OC(C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1)=C2OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C4337.3Semi standard non polar33892256
Pyranodelphinin B,4TMS,isomer #13CC1=CC2=C3C(=CC(O[Si](C)(C)C)=CC3=[O+]1)OC(C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1)=C2OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4283.7Semi standard non polar33892256
Pyranodelphinin B,4TMS,isomer #14CC1=CC2=C3C(=CC(O[Si](C)(C)C)=CC3=[O+]1)OC(C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1)=C2OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4307.9Semi standard non polar33892256
Pyranodelphinin B,4TMS,isomer #15CC1=CC2=C3C(=CC(O[Si](C)(C)C)=CC3=[O+]1)OC(C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1)=C2OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4296.2Semi standard non polar33892256
Pyranodelphinin B,4TMS,isomer #16CC1=CC2=C3C(=CC(O)=CC3=[O+]1)OC(C1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)=C2OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O4290.2Semi standard non polar33892256
Pyranodelphinin B,4TMS,isomer #17CC1=CC2=C3C(=CC(O)=CC3=[O+]1)OC(C1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)=C2OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O4299.2Semi standard non polar33892256
Pyranodelphinin B,4TMS,isomer #18CC1=CC2=C3C(=CC(O)=CC3=[O+]1)OC(C1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)=C2OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O4269.3Semi standard non polar33892256
Pyranodelphinin B,4TMS,isomer #19CC1=CC2=C3C(=CC(O)=CC3=[O+]1)OC(C1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)=C2OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C4318.5Semi standard non polar33892256
Pyranodelphinin B,4TMS,isomer #2CC1=CC2=C3C(=CC(O[Si](C)(C)C)=CC3=[O+]1)OC(C1=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1)=C2OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O4283.3Semi standard non polar33892256
Pyranodelphinin B,4TMS,isomer #20CC1=CC2=C3C(=CC(O)=CC3=[O+]1)OC(C1=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1)=C2OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O4302.5Semi standard non polar33892256
Pyranodelphinin B,4TMS,isomer #21CC1=CC2=C3C(=CC(O)=CC3=[O+]1)OC(C1=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1)=C2OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O4275.7Semi standard non polar33892256
Pyranodelphinin B,4TMS,isomer #22CC1=CC2=C3C(=CC(O)=CC3=[O+]1)OC(C1=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1)=C2OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C4323.5Semi standard non polar33892256
Pyranodelphinin B,4TMS,isomer #23CC1=CC2=C3C(=CC(O)=CC3=[O+]1)OC(C1=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1)=C2OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4267.1Semi standard non polar33892256
Pyranodelphinin B,4TMS,isomer #24CC1=CC2=C3C(=CC(O)=CC3=[O+]1)OC(C1=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1)=C2OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4287.0Semi standard non polar33892256
Pyranodelphinin B,4TMS,isomer #25CC1=CC2=C3C(=CC(O)=CC3=[O+]1)OC(C1=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1)=C2OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4281.4Semi standard non polar33892256
Pyranodelphinin B,4TMS,isomer #26CC1=CC2=C3C(=CC(O)=CC3=[O+]1)OC(C1=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)=C2OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O4273.7Semi standard non polar33892256
Pyranodelphinin B,4TMS,isomer #27CC1=CC2=C3C(=CC(O)=CC3=[O+]1)OC(C1=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)=C2OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O4241.1Semi standard non polar33892256
Pyranodelphinin B,4TMS,isomer #28CC1=CC2=C3C(=CC(O)=CC3=[O+]1)OC(C1=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)=C2OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C4294.5Semi standard non polar33892256
Pyranodelphinin B,4TMS,isomer #29CC1=CC2=C3C(=CC(O)=CC3=[O+]1)OC(C1=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)=C2OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4251.0Semi standard non polar33892256
Pyranodelphinin B,4TMS,isomer #3CC1=CC2=C3C(=CC(O[Si](C)(C)C)=CC3=[O+]1)OC(C1=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1)=C2OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O4278.7Semi standard non polar33892256
Pyranodelphinin B,4TMS,isomer #30CC1=CC2=C3C(=CC(O)=CC3=[O+]1)OC(C1=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)=C2OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4271.4Semi standard non polar33892256
Pyranodelphinin B,4TMS,isomer #31CC1=CC2=C3C(=CC(O)=CC3=[O+]1)OC(C1=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)=C2OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4261.7Semi standard non polar33892256
Pyranodelphinin B,4TMS,isomer #32CC1=CC2=C3C(=CC(O)=CC3=[O+]1)OC(C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1)=C2OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4348.7Semi standard non polar33892256
Pyranodelphinin B,4TMS,isomer #33CC1=CC2=C3C(=CC(O)=CC3=[O+]1)OC(C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1)=C2OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4401.8Semi standard non polar33892256
Pyranodelphinin B,4TMS,isomer #34CC1=CC2=C3C(=CC(O)=CC3=[O+]1)OC(C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1)=C2OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4349.8Semi standard non polar33892256
Pyranodelphinin B,4TMS,isomer #35CC1=CC2=C3C(=CC(O)=CC3=[O+]1)OC(C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1)=C2OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C4338.8Semi standard non polar33892256
Pyranodelphinin B,4TMS,isomer #36CC1=CC2=C3C(=CC(O[Si](C)(C)C)=CC3=[O+]1)OC(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)=C2OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O4274.2Semi standard non polar33892256
Pyranodelphinin B,4TMS,isomer #37CC1=CC2=C3C(=CC(O[Si](C)(C)C)=CC3=[O+]1)OC(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)=C2OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O4287.6Semi standard non polar33892256
Pyranodelphinin B,4TMS,isomer #38CC1=CC2=C3C(=CC(O[Si](C)(C)C)=CC3=[O+]1)OC(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)=C2OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C4282.9Semi standard non polar33892256
Pyranodelphinin B,4TMS,isomer #39CC1=CC2=C3C(=CC(O[Si](C)(C)C)=CC3=[O+]1)OC(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)=C2OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4265.8Semi standard non polar33892256
Pyranodelphinin B,4TMS,isomer #4CC1=CC2=C3C(=CC(O[Si](C)(C)C)=CC3=[O+]1)OC(C1=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1)=C2OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O4259.5Semi standard non polar33892256
Pyranodelphinin B,4TMS,isomer #40CC1=CC2=C3C(=CC(O[Si](C)(C)C)=CC3=[O+]1)OC(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)=C2OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4279.7Semi standard non polar33892256
Pyranodelphinin B,4TMS,isomer #41CC1=CC2=C3C(=CC(O[Si](C)(C)C)=CC3=[O+]1)OC(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)=C2OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4273.4Semi standard non polar33892256
Pyranodelphinin B,4TMS,isomer #42CC1=CC2=C3C(=CC(O)=CC3=[O+]1)OC(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)=C2OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4293.6Semi standard non polar33892256
Pyranodelphinin B,4TMS,isomer #43CC1=CC2=C3C(=CC(O)=CC3=[O+]1)OC(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)=C2OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4328.5Semi standard non polar33892256
Pyranodelphinin B,4TMS,isomer #44CC1=CC2=C3C(=CC(O)=CC3=[O+]1)OC(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)=C2OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4294.5Semi standard non polar33892256
Pyranodelphinin B,4TMS,isomer #45CC1=CC2=C3C(=CC(O)=CC3=[O+]1)OC(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)=C2OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C4283.0Semi standard non polar33892256
Pyranodelphinin B,4TMS,isomer #46CC1=CC2=C3C(=CC(O[Si](C)(C)C)=CC3=[O+]1)OC(C1=CC(O)=C(O)C(O)=C1)=C2OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4439.3Semi standard non polar33892256
Pyranodelphinin B,4TMS,isomer #47CC1=CC2=C3C(=CC(O[Si](C)(C)C)=CC3=[O+]1)OC(C1=CC(O)=C(O)C(O)=C1)=C2OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4483.1Semi standard non polar33892256
Pyranodelphinin B,4TMS,isomer #48CC1=CC2=C3C(=CC(O[Si](C)(C)C)=CC3=[O+]1)OC(C1=CC(O)=C(O)C(O)=C1)=C2OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4442.6Semi standard non polar33892256
Pyranodelphinin B,4TMS,isomer #49CC1=CC2=C3C(=CC(O)=CC3=[O+]1)OC(C1=CC(O)=C(O)C(O)=C1)=C2OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C4502.4Semi standard non polar33892256
Pyranodelphinin B,4TMS,isomer #5CC1=CC2=C3C(=CC(O[Si](C)(C)C)=CC3=[O+]1)OC(C1=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1)=C2OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C4284.3Semi standard non polar33892256
Pyranodelphinin B,4TMS,isomer #50CC1=CC2=C3C(=CC(O[Si](C)(C)C)=CC3=[O+]1)OC(C1=CC(O)=C(O)C(O)=C1)=C2OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C4432.9Semi standard non polar33892256
Pyranodelphinin B,4TMS,isomer #6CC1=CC2=C3C(=CC(O[Si](C)(C)C)=CC3=[O+]1)OC(C1=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)=C2OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O4256.3Semi standard non polar33892256
Pyranodelphinin B,4TMS,isomer #7CC1=CC2=C3C(=CC(O[Si](C)(C)C)=CC3=[O+]1)OC(C1=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)=C2OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O4268.7Semi standard non polar33892256
Pyranodelphinin B,4TMS,isomer #8CC1=CC2=C3C(=CC(O[Si](C)(C)C)=CC3=[O+]1)OC(C1=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)=C2OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O4255.0Semi standard non polar33892256
Pyranodelphinin B,4TMS,isomer #9CC1=CC2=C3C(=CC(O[Si](C)(C)C)=CC3=[O+]1)OC(C1=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)=C2OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C4275.9Semi standard non polar33892256
Pyranodelphinin B,5TMS,isomer #1CC1=CC2=C3C(=CC(O[Si](C)(C)C)=CC3=[O+]1)OC(C1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)=C2OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O4252.6Semi standard non polar33892256
Pyranodelphinin B,5TMS,isomer #10CC1=CC2=C3C(=CC(O[Si](C)(C)C)=CC3=[O+]1)OC(C1=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1)=C2OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4229.3Semi standard non polar33892256
Pyranodelphinin B,5TMS,isomer #11CC1=CC2=C3C(=CC(O[Si](C)(C)C)=CC3=[O+]1)OC(C1=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)=C2OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O4235.3Semi standard non polar33892256
Pyranodelphinin B,5TMS,isomer #12CC1=CC2=C3C(=CC(O[Si](C)(C)C)=CC3=[O+]1)OC(C1=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)=C2OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O4233.7Semi standard non polar33892256
Pyranodelphinin B,5TMS,isomer #13CC1=CC2=C3C(=CC(O[Si](C)(C)C)=CC3=[O+]1)OC(C1=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)=C2OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C4237.8Semi standard non polar33892256
Pyranodelphinin B,5TMS,isomer #14CC1=CC2=C3C(=CC(O[Si](C)(C)C)=CC3=[O+]1)OC(C1=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)=C2OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4221.6Semi standard non polar33892256
Pyranodelphinin B,5TMS,isomer #15CC1=CC2=C3C(=CC(O[Si](C)(C)C)=CC3=[O+]1)OC(C1=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)=C2OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4240.6Semi standard non polar33892256
Pyranodelphinin B,5TMS,isomer #16CC1=CC2=C3C(=CC(O[Si](C)(C)C)=CC3=[O+]1)OC(C1=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)=C2OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4223.7Semi standard non polar33892256
Pyranodelphinin B,5TMS,isomer #17CC1=CC2=C3C(=CC(O[Si](C)(C)C)=CC3=[O+]1)OC(C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1)=C2OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4262.6Semi standard non polar33892256
Pyranodelphinin B,5TMS,isomer #18CC1=CC2=C3C(=CC(O[Si](C)(C)C)=CC3=[O+]1)OC(C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1)=C2OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4298.9Semi standard non polar33892256
Pyranodelphinin B,5TMS,isomer #19CC1=CC2=C3C(=CC(O[Si](C)(C)C)=CC3=[O+]1)OC(C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1)=C2OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4258.9Semi standard non polar33892256
Pyranodelphinin B,5TMS,isomer #2CC1=CC2=C3C(=CC(O[Si](C)(C)C)=CC3=[O+]1)OC(C1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)=C2OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O4280.2Semi standard non polar33892256
Pyranodelphinin B,5TMS,isomer #20CC1=CC2=C3C(=CC(O[Si](C)(C)C)=CC3=[O+]1)OC(C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1)=C2OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C4250.1Semi standard non polar33892256
Pyranodelphinin B,5TMS,isomer #21CC1=CC2=C3C(=CC(O)=CC3=[O+]1)OC(C1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)=C2OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O4244.1Semi standard non polar33892256
Pyranodelphinin B,5TMS,isomer #22CC1=CC2=C3C(=CC(O)=CC3=[O+]1)OC(C1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)=C2OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O4223.6Semi standard non polar33892256
Pyranodelphinin B,5TMS,isomer #23CC1=CC2=C3C(=CC(O)=CC3=[O+]1)OC(C1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)=C2OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C4252.0Semi standard non polar33892256
Pyranodelphinin B,5TMS,isomer #24CC1=CC2=C3C(=CC(O)=CC3=[O+]1)OC(C1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)=C2OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4245.4Semi standard non polar33892256
Pyranodelphinin B,5TMS,isomer #25CC1=CC2=C3C(=CC(O)=CC3=[O+]1)OC(C1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)=C2OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4262.8Semi standard non polar33892256
Pyranodelphinin B,5TMS,isomer #26CC1=CC2=C3C(=CC(O)=CC3=[O+]1)OC(C1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)=C2OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4244.9Semi standard non polar33892256
Pyranodelphinin B,5TMS,isomer #27CC1=CC2=C3C(=CC(O)=CC3=[O+]1)OC(C1=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1)=C2OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4251.0Semi standard non polar33892256
Pyranodelphinin B,5TMS,isomer #28CC1=CC2=C3C(=CC(O)=CC3=[O+]1)OC(C1=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1)=C2OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4276.5Semi standard non polar33892256
Pyranodelphinin B,5TMS,isomer #29CC1=CC2=C3C(=CC(O)=CC3=[O+]1)OC(C1=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1)=C2OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4242.9Semi standard non polar33892256
Pyranodelphinin B,5TMS,isomer #3CC1=CC2=C3C(=CC(O[Si](C)(C)C)=CC3=[O+]1)OC(C1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)=C2OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O4256.2Semi standard non polar33892256
Pyranodelphinin B,5TMS,isomer #30CC1=CC2=C3C(=CC(O)=CC3=[O+]1)OC(C1=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1)=C2OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C4230.2Semi standard non polar33892256
Pyranodelphinin B,5TMS,isomer #31CC1=CC2=C3C(=CC(O)=CC3=[O+]1)OC(C1=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)=C2OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4235.8Semi standard non polar33892256
Pyranodelphinin B,5TMS,isomer #32CC1=CC2=C3C(=CC(O)=CC3=[O+]1)OC(C1=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)=C2OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4269.2Semi standard non polar33892256
Pyranodelphinin B,5TMS,isomer #33CC1=CC2=C3C(=CC(O)=CC3=[O+]1)OC(C1=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)=C2OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4231.2Semi standard non polar33892256
Pyranodelphinin B,5TMS,isomer #34CC1=CC2=C3C(=CC(O)=CC3=[O+]1)OC(C1=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)=C2OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C4227.5Semi standard non polar33892256
Pyranodelphinin B,5TMS,isomer #35CC1=CC2=C3C(=CC(O)=CC3=[O+]1)OC(C1=CC(O)=C(O)C(O[Si](C)(C)C)=C1)=C2OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C4322.3Semi standard non polar33892256
Pyranodelphinin B,5TMS,isomer #36CC1=CC2=C3C(=CC(O[Si](C)(C)C)=CC3=[O+]1)OC(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)=C2OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4266.7Semi standard non polar33892256
Pyranodelphinin B,5TMS,isomer #37CC1=CC2=C3C(=CC(O[Si](C)(C)C)=CC3=[O+]1)OC(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)=C2OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4288.6Semi standard non polar33892256
Pyranodelphinin B,5TMS,isomer #38CC1=CC2=C3C(=CC(O[Si](C)(C)C)=CC3=[O+]1)OC(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)=C2OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4253.9Semi standard non polar33892256
Pyranodelphinin B,5TMS,isomer #39CC1=CC2=C3C(=CC(O[Si](C)(C)C)=CC3=[O+]1)OC(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)=C2OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C4224.9Semi standard non polar33892256
Pyranodelphinin B,5TMS,isomer #4CC1=CC2=C3C(=CC(O[Si](C)(C)C)=CC3=[O+]1)OC(C1=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)=C2OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C4279.2Semi standard non polar33892256
Pyranodelphinin B,5TMS,isomer #40CC1=CC2=C3C(=CC(O)=CC3=[O+]1)OC(C1=CC(O)=C(O[Si](C)(C)C)C(O)=C1)=C2OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C4280.2Semi standard non polar33892256
Pyranodelphinin B,5TMS,isomer #41CC1=CC2=C3C(=CC(O[Si](C)(C)C)=CC3=[O+]1)OC(C1=CC(O)=C(O)C(O)=C1)=C2OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C4401.8Semi standard non polar33892256
Pyranodelphinin B,5TMS,isomer #5CC1=CC2=C3C(=CC(O[Si](C)(C)C)=CC3=[O+]1)OC(C1=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1)=C2OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O4246.3Semi standard non polar33892256
Pyranodelphinin B,5TMS,isomer #6CC1=CC2=C3C(=CC(O[Si](C)(C)C)=CC3=[O+]1)OC(C1=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1)=C2OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O4243.3Semi standard non polar33892256
Pyranodelphinin B,5TMS,isomer #7CC1=CC2=C3C(=CC(O[Si](C)(C)C)=CC3=[O+]1)OC(C1=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1)=C2OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C4248.9Semi standard non polar33892256
Pyranodelphinin B,5TMS,isomer #8CC1=CC2=C3C(=CC(O[Si](C)(C)C)=CC3=[O+]1)OC(C1=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1)=C2OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4224.1Semi standard non polar33892256
Pyranodelphinin B,5TMS,isomer #9CC1=CC2=C3C(=CC(O[Si](C)(C)C)=CC3=[O+]1)OC(C1=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C1)=C2OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4243.8Semi standard non polar33892256
Pyranodelphinin B,1TBDMS,isomer #1CC1=CC2=C3C(=CC(O)=CC3=[O+]1)OC(C1=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)=C2OC1OC(CO)C(O)C(O)C1O4930.3Semi standard non polar33892256
Pyranodelphinin B,1TBDMS,isomer #2CC1=CC2=C3C(=CC(O)=CC3=[O+]1)OC(C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)=C2OC1OC(CO)C(O)C(O)C1O4913.3Semi standard non polar33892256
Pyranodelphinin B,1TBDMS,isomer #3CC1=CC2=C3C(=CC(O)=CC3=[O+]1)OC(C1=CC(O)=C(O)C(O)=C1)=C2OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O4950.0Semi standard non polar33892256
Pyranodelphinin B,1TBDMS,isomer #4CC1=CC2=C3C(=CC(O)=CC3=[O+]1)OC(C1=CC(O)=C(O)C(O)=C1)=C2OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O4944.8Semi standard non polar33892256
Pyranodelphinin B,1TBDMS,isomer #5CC1=CC2=C3C(=CC(O)=CC3=[O+]1)OC(C1=CC(O)=C(O)C(O)=C1)=C2OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O4948.4Semi standard non polar33892256
Pyranodelphinin B,1TBDMS,isomer #6CC1=CC2=C3C(=CC(O)=CC3=[O+]1)OC(C1=CC(O)=C(O)C(O)=C1)=C2OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C4952.5Semi standard non polar33892256
Pyranodelphinin B,1TBDMS,isomer #7CC1=CC2=C3C(=CC(O[Si](C)(C)C(C)(C)C)=CC3=[O+]1)OC(C1=CC(O)=C(O)C(O)=C1)=C2OC1OC(CO)C(O)C(O)C1O4954.1Semi standard non polar33892256
Pyranodelphinin B,2TBDMS,isomer #1CC1=CC2=C3C(=CC(O[Si](C)(C)C(C)(C)C)=CC3=[O+]1)OC(C1=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)=C2OC1OC(CO)C(O)C(O)C1O4993.2Semi standard non polar33892256
Pyranodelphinin B,2TBDMS,isomer #10CC1=CC2=C3C(=CC(O)=CC3=[O+]1)OC(C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)=C2OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O4919.3Semi standard non polar33892256
Pyranodelphinin B,2TBDMS,isomer #11CC1=CC2=C3C(=CC(O)=CC3=[O+]1)OC(C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)=C2OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O4937.6Semi standard non polar33892256
Pyranodelphinin B,2TBDMS,isomer #12CC1=CC2=C3C(=CC(O)=CC3=[O+]1)OC(C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)=C2OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C4930.9Semi standard non polar33892256
Pyranodelphinin B,2TBDMS,isomer #13CC1=CC2=C3C(=CC(O[Si](C)(C)C(C)(C)C)=CC3=[O+]1)OC(C1=CC(O)=C(O)C(O)=C1)=C2OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O5012.0Semi standard non polar33892256
Pyranodelphinin B,2TBDMS,isomer #14CC1=CC2=C3C(=CC(O)=CC3=[O+]1)OC(C1=CC(O)=C(O)C(O)=C1)=C2OC1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O5005.7Semi standard non polar33892256
Pyranodelphinin B,2TBDMS,isomer #15CC1=CC2=C3C(=CC(O)=CC3=[O+]1)OC(C1=CC(O)=C(O)C(O)=C1)=C2OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O5016.6Semi standard non polar33892256
Pyranodelphinin B,2TBDMS,isomer #16CC1=CC2=C3C(=CC(O)=CC3=[O+]1)OC(C1=CC(O)=C(O)C(O)=C1)=C2OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C5019.7Semi standard non polar33892256
Pyranodelphinin B,2TBDMS,isomer #17CC1=CC2=C3C(=CC(O[Si](C)(C)C(C)(C)C)=CC3=[O+]1)OC(C1=CC(O)=C(O)C(O)=C1)=C2OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O5003.5Semi standard non polar33892256
Pyranodelphinin B,2TBDMS,isomer #18CC1=CC2=C3C(=CC(O)=CC3=[O+]1)OC(C1=CC(O)=C(O)C(O)=C1)=C2OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O5013.4Semi standard non polar33892256
Pyranodelphinin B,2TBDMS,isomer #19CC1=CC2=C3C(=CC(O)=CC3=[O+]1)OC(C1=CC(O)=C(O)C(O)=C1)=C2OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C5027.3Semi standard non polar33892256
Pyranodelphinin B,2TBDMS,isomer #2CC1=CC2=C3C(=CC(O)=CC3=[O+]1)OC(C1=CC(O[Si](C)(C)C(C)(C)C)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)=C2OC1OC(CO)C(O)C(O)C1O4988.2Semi standard non polar33892256
Pyranodelphinin B,2TBDMS,isomer #20CC1=CC2=C3C(=CC(O[Si](C)(C)C(C)(C)C)=CC3=[O+]1)OC(C1=CC(O)=C(O)C(O)=C1)=C2OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O4994.8Semi standard non polar33892256
Pyranodelphinin B,2TBDMS,isomer #21CC1=CC2=C3C(=CC(O)=CC3=[O+]1)OC(C1=CC(O)=C(O)C(O)=C1)=C2OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C5043.6Semi standard non polar33892256
Pyranodelphinin B,2TBDMS,isomer #22CC1=CC2=C3C(=CC(O[Si](C)(C)C(C)(C)C)=CC3=[O+]1)OC(C1=CC(O)=C(O)C(O)=C1)=C2OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C5016.6Semi standard non polar33892256
Pyranodelphinin B,2TBDMS,isomer #3CC1=CC2=C3C(=CC(O)=CC3=[O+]1)OC(C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1)=C2OC1OC(CO)C(O)C(O)C1O4949.8Semi standard non polar33892256
Pyranodelphinin B,2TBDMS,isomer #4CC1=CC2=C3C(=CC(O)=CC3=[O+]1)OC(C1=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)=C2OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O4972.1Semi standard non polar33892256
Pyranodelphinin B,2TBDMS,isomer #5CC1=CC2=C3C(=CC(O)=CC3=[O+]1)OC(C1=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)=C2OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O4956.0Semi standard non polar33892256
Pyranodelphinin B,2TBDMS,isomer #6CC1=CC2=C3C(=CC(O)=CC3=[O+]1)OC(C1=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)=C2OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O4956.4Semi standard non polar33892256
Pyranodelphinin B,2TBDMS,isomer #7CC1=CC2=C3C(=CC(O)=CC3=[O+]1)OC(C1=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)=C2OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C4966.0Semi standard non polar33892256
Pyranodelphinin B,2TBDMS,isomer #8CC1=CC2=C3C(=CC(O[Si](C)(C)C(C)(C)C)=CC3=[O+]1)OC(C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)=C2OC1OC(CO)C(O)C(O)C1O4982.5Semi standard non polar33892256
Pyranodelphinin B,2TBDMS,isomer #9CC1=CC2=C3C(=CC(O)=CC3=[O+]1)OC(C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)=C2OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O4950.2Semi standard non polar33892256
Pyranodelphinin B,3TBDMS,isomer #1CC1=CC2=C3C(=CC(O[Si](C)(C)C(C)(C)C)=CC3=[O+]1)OC(C1=CC(O[Si](C)(C)C(C)(C)C)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)=C2OC1OC(CO)C(O)C(O)C1O5083.3Semi standard non polar33892256
Pyranodelphinin B,3TBDMS,isomer #10CC1=CC2=C3C(=CC(O)=CC3=[O+]1)OC(C1=CC(O[Si](C)(C)C(C)(C)C)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)=C2OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O4998.1Semi standard non polar33892256
Pyranodelphinin B,3TBDMS,isomer #11CC1=CC2=C3C(=CC(O)=CC3=[O+]1)OC(C1=CC(O[Si](C)(C)C(C)(C)C)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)=C2OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C5006.7Semi standard non polar33892256
Pyranodelphinin B,3TBDMS,isomer #12CC1=CC2=C3C(=CC(O)=CC3=[O+]1)OC(C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1)=C2OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O4980.1Semi standard non polar33892256
Pyranodelphinin B,3TBDMS,isomer #13CC1=CC2=C3C(=CC(O)=CC3=[O+]1)OC(C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1)=C2OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O4961.5Semi standard non polar33892256
Pyranodelphinin B,3TBDMS,isomer #14CC1=CC2=C3C(=CC(O)=CC3=[O+]1)OC(C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1)=C2OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O4965.5Semi standard non polar33892256
Pyranodelphinin B,3TBDMS,isomer #15CC1=CC2=C3C(=CC(O)=CC3=[O+]1)OC(C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1)=C2OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C4971.7Semi standard non polar33892256
Pyranodelphinin B,3TBDMS,isomer #16CC1=CC2=C3C(=CC(O)=CC3=[O+]1)OC(C1=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)=C2OC1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O5004.0Semi standard non polar33892256
Pyranodelphinin B,3TBDMS,isomer #17CC1=CC2=C3C(=CC(O)=CC3=[O+]1)OC(C1=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)=C2OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O5009.6Semi standard non polar33892256
Pyranodelphinin B,3TBDMS,isomer #18CC1=CC2=C3C(=CC(O)=CC3=[O+]1)OC(C1=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)=C2OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C5027.7Semi standard non polar33892256
Pyranodelphinin B,3TBDMS,isomer #19CC1=CC2=C3C(=CC(O)=CC3=[O+]1)OC(C1=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)=C2OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O4981.7Semi standard non polar33892256
Pyranodelphinin B,3TBDMS,isomer #2CC1=CC2=C3C(=CC(O[Si](C)(C)C(C)(C)C)=CC3=[O+]1)OC(C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1)=C2OC1OC(CO)C(O)C(O)C1O5040.8Semi standard non polar33892256
Pyranodelphinin B,3TBDMS,isomer #20CC1=CC2=C3C(=CC(O)=CC3=[O+]1)OC(C1=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)=C2OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C5007.1Semi standard non polar33892256
Pyranodelphinin B,3TBDMS,isomer #21CC1=CC2=C3C(=CC(O)=CC3=[O+]1)OC(C1=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)=C2OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C5013.3Semi standard non polar33892256
Pyranodelphinin B,3TBDMS,isomer #22CC1=CC2=C3C(=CC(O[Si](C)(C)C(C)(C)C)=CC3=[O+]1)OC(C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)=C2OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O5048.5Semi standard non polar33892256
Pyranodelphinin B,3TBDMS,isomer #23CC1=CC2=C3C(=CC(O[Si](C)(C)C(C)(C)C)=CC3=[O+]1)OC(C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)=C2OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O5054.9Semi standard non polar33892256
Pyranodelphinin B,3TBDMS,isomer #24CC1=CC2=C3C(=CC(O[Si](C)(C)C(C)(C)C)=CC3=[O+]1)OC(C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)=C2OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O5098.3Semi standard non polar33892256
Pyranodelphinin B,3TBDMS,isomer #25CC1=CC2=C3C(=CC(O[Si](C)(C)C(C)(C)C)=CC3=[O+]1)OC(C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)=C2OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C5039.0Semi standard non polar33892256
Pyranodelphinin B,3TBDMS,isomer #26CC1=CC2=C3C(=CC(O)=CC3=[O+]1)OC(C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)=C2OC1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O4970.3Semi standard non polar33892256
Pyranodelphinin B,3TBDMS,isomer #27CC1=CC2=C3C(=CC(O)=CC3=[O+]1)OC(C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)=C2OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O5012.6Semi standard non polar33892256
Pyranodelphinin B,3TBDMS,isomer #28CC1=CC2=C3C(=CC(O)=CC3=[O+]1)OC(C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)=C2OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C4983.8Semi standard non polar33892256
Pyranodelphinin B,3TBDMS,isomer #29CC1=CC2=C3C(=CC(O)=CC3=[O+]1)OC(C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)=C2OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O4977.0Semi standard non polar33892256
Pyranodelphinin B,3TBDMS,isomer #3CC1=CC2=C3C(=CC(O[Si](C)(C)C(C)(C)C)=CC3=[O+]1)OC(C1=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)=C2OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O5033.6Semi standard non polar33892256
Pyranodelphinin B,3TBDMS,isomer #30CC1=CC2=C3C(=CC(O)=CC3=[O+]1)OC(C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)=C2OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C4978.7Semi standard non polar33892256
Pyranodelphinin B,3TBDMS,isomer #31CC1=CC2=C3C(=CC(O)=CC3=[O+]1)OC(C1=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)=C2OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C4995.9Semi standard non polar33892256
Pyranodelphinin B,3TBDMS,isomer #32CC1=CC2=C3C(=CC(O[Si](C)(C)C(C)(C)C)=CC3=[O+]1)OC(C1=CC(O)=C(O)C(O)=C1)=C2OC1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O5081.4Semi standard non polar33892256
Pyranodelphinin B,3TBDMS,isomer #33CC1=CC2=C3C(=CC(O[Si](C)(C)C(C)(C)C)=CC3=[O+]1)OC(C1=CC(O)=C(O)C(O)=C1)=C2OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O5082.0Semi standard non polar33892256
Pyranodelphinin B,3TBDMS,isomer #34CC1=CC2=C3C(=CC(O[Si](C)(C)C(C)(C)C)=CC3=[O+]1)OC(C1=CC(O)=C(O)C(O)=C1)=C2OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C5105.4Semi standard non polar33892256
Pyranodelphinin B,3TBDMS,isomer #35CC1=CC2=C3C(=CC(O)=CC3=[O+]1)OC(C1=CC(O)=C(O)C(O)=C1)=C2OC1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O5107.9Semi standard non polar33892256
Pyranodelphinin B,3TBDMS,isomer #36CC1=CC2=C3C(=CC(O)=CC3=[O+]1)OC(C1=CC(O)=C(O)C(O)=C1)=C2OC1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C5139.3Semi standard non polar33892256
Pyranodelphinin B,3TBDMS,isomer #37CC1=CC2=C3C(=CC(O)=CC3=[O+]1)OC(C1=CC(O)=C(O)C(O)=C1)=C2OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C5112.3Semi standard non polar33892256
Pyranodelphinin B,3TBDMS,isomer #38CC1=CC2=C3C(=CC(O[Si](C)(C)C(C)(C)C)=CC3=[O+]1)OC(C1=CC(O)=C(O)C(O)=C1)=C2OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O5057.9Semi standard non polar33892256
Pyranodelphinin B,3TBDMS,isomer #39CC1=CC2=C3C(=CC(O[Si](C)(C)C(C)(C)C)=CC3=[O+]1)OC(C1=CC(O)=C(O)C(O)=C1)=C2OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C5085.0Semi standard non polar33892256
Pyranodelphinin B,3TBDMS,isomer #4CC1=CC2=C3C(=CC(O[Si](C)(C)C(C)(C)C)=CC3=[O+]1)OC(C1=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)=C2OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O5013.5Semi standard non polar33892256
Pyranodelphinin B,3TBDMS,isomer #40CC1=CC2=C3C(=CC(O)=CC3=[O+]1)OC(C1=CC(O)=C(O)C(O)=C1)=C2OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C5113.7Semi standard non polar33892256
Pyranodelphinin B,3TBDMS,isomer #41CC1=CC2=C3C(=CC(O[Si](C)(C)C(C)(C)C)=CC3=[O+]1)OC(C1=CC(O)=C(O)C(O)=C1)=C2OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C5091.2Semi standard non polar33892256
Pyranodelphinin B,3TBDMS,isomer #5CC1=CC2=C3C(=CC(O[Si](C)(C)C(C)(C)C)=CC3=[O+]1)OC(C1=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)=C2OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O5024.0Semi standard non polar33892256
Pyranodelphinin B,3TBDMS,isomer #6CC1=CC2=C3C(=CC(O[Si](C)(C)C(C)(C)C)=CC3=[O+]1)OC(C1=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)=C2OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C5025.6Semi standard non polar33892256
Pyranodelphinin B,3TBDMS,isomer #7CC1=CC2=C3C(=CC(O)=CC3=[O+]1)OC(C1=CC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1)=C2OC1OC(CO)C(O)C(O)C1O5038.0Semi standard non polar33892256
Pyranodelphinin B,3TBDMS,isomer #8CC1=CC2=C3C(=CC(O)=CC3=[O+]1)OC(C1=CC(O[Si](C)(C)C(C)(C)C)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)=C2OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O5023.3Semi standard non polar33892256
Pyranodelphinin B,3TBDMS,isomer #9CC1=CC2=C3C(=CC(O)=CC3=[O+]1)OC(C1=CC(O[Si](C)(C)C(C)(C)C)=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)=C2OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O4995.0Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Pyranodelphinin B GC-MS (Non-derivatized) - 70eV, Positivesplash10-05g0-9201700000-a78cbbf9eb0bee999a052017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Pyranodelphinin B GC-MS (2 TMS) - 70eV, Positivesplash10-053r-4610119000-dbca95c6aaeb968739f72017-10-06Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Pyranodelphinin B 10V, Positive-QTOFsplash10-0udi-0100090000-6fc16d369a93ee6fb4502016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Pyranodelphinin B 20V, Positive-QTOFsplash10-0udi-2500390000-da0589b846941d4d54ab2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Pyranodelphinin B 40V, Positive-QTOFsplash10-01ot-7902000000-1fb621a638a074ba0ea62016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Pyranodelphinin B 10V, Negative-QTOFsplash10-0udi-2300090000-44659335dbb0ceaaccfb2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Pyranodelphinin B 20V, Negative-QTOFsplash10-0udi-7900080000-c915cdbd834a93ab90442016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Pyranodelphinin B 40V, Negative-QTOFsplash10-052f-9200000000-f24b700d63c5558fc4fa2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Pyranodelphinin B 10V, Positive-QTOFsplash10-0006-0009120000-928838aa0ebc2d6482412021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Pyranodelphinin B 20V, Positive-QTOFsplash10-0006-0009000000-4bd256660b9de76724c42021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Pyranodelphinin B 40V, Positive-QTOFsplash10-002g-3149100000-c8f063d9a9da3ac91b762021-09-24Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB014097
KNApSAcK IDNot Available
Chemspider ID16024
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound16913
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .

Enzymes

Enzyme Details
1. UDP-glucuronosyltransferase 1-1
General function:
Involved in transferase activity, transferring hexosyl groups
Specific function:
UDPGT is of major importance in the conjugation and subsequent elimination of potentially toxic xenobiotics and endogenous compounds. This isoform glucuronidates bilirubin IX-alpha to form both the IX-alpha-C8 and IX-alpha-C12 monoconjugates and diconjugate. Is also able to catalyze the glucuronidation of 17beta-estradiol, 17alpha-ethinylestradiol, 1-hydroxypyrene, 4-methylumbelliferone, 1-naphthol, paranitrophenol, scopoletin, and umbelliferone.
Gene Name:
UGT1A1
Uniprot ID:
P22309
Molecular weight:
59590.91
Reactions
Pyranodelphinin B → 7-{3-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-4,5-dihydroxyphenyl}-11-hydroxy-3-methyl-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2λ⁴,8-dioxatricyclo[7.3.1.0⁵,¹³]trideca-1,3,5(13),6,9,11-hexaen-2-yliumdetails
Pyranodelphinin B → 7-{4-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-3,5-dihydroxyphenyl}-11-hydroxy-3-methyl-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2λ⁴,8-dioxatricyclo[7.3.1.0⁵,¹³]trideca-1,3,5(13),6,9,11-hexaen-2-yliumdetails
Pyranodelphinin B → 11-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-3-methyl-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-7-(3,4,5-trihydroxyphenyl)-2λ⁴,8-dioxatricyclo[7.3.1.0⁵,¹³]trideca-1,3,5(13),6,9,11-hexaen-2-yliumdetails