Jump To Section:

Identification Taxonomy Ontology Physical properties Spectra Biological properties Concentrations Links References enzymes (18) Show 18 proteins XML

Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2008-09-15 17:23:00 UTC

Update Date

2021-09-14 15:45:17 UTC

HMDB ID

HMDB0010336

Secondary Accession Numbers

HMDB10336

Metabolite Identification

Common Name

Epinephrine glucuronide

Description

Epinephrine glucuronide is a natural human metabolite of epinephrine generated in the liver by UDP glucuonyltransferase. Glucuronidation is used to assist in the excretion of toxic substances, drugs or other substances that cannot be used as an energy source. Glucuronic acid is attached via a glycosidic bond to the substance, and the resulting glucuronide, which has a much higher water solubility than the original substance, is eventually excreted by the kidneys.

Structure

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

HMDB0010336
     RDKit          3D
Epinephrine glucuronide
 46 47  0  0  0  0  0  0  0  0999 V2000
    5.9126   -0.8415    1.3507 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1652   -1.5470    0.3018 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1922   -0.8079   -0.9335 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4171    0.4817   -0.8974 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9325    1.3283    0.1091 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9628    0.3119   -0.6812 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2080    1.3814   -0.2234 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8311    1.2215   -0.0305 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1723    0.0433   -0.2730 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1714   -0.1587   -0.0978 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0801    0.7797    0.3580 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.7409    0.4040    1.5179 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0857    0.2146    1.3804 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.7199   -0.3372    2.5706 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1123   -0.6214    3.6341 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0905   -0.5733    2.5493 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2891   -0.7510    0.2057 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.5873   -1.2918    0.2389 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0910    0.1157   -1.0300 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.9093   -0.6511   -2.1683 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0203    1.1131   -0.7752 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.5035    2.4058   -0.5900 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9871   -1.0021   -0.7344 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3426   -2.2064   -0.9877 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3460   -0.8809   -0.9362 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4543   -1.6124    1.9203 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6970   -0.2399    0.8271 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2529   -0.2157    1.9769 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2310   -1.8170    0.6430 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8331   -1.4439   -1.7608 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2679   -0.5638   -1.1451 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5696    0.9979   -1.8499 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8533    2.2819   -0.2152 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7126    2.3178   -0.0280 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2904    2.1032    0.3325 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5632    1.7225    0.6017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5413    1.2127    1.1299 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7194    0.1676    2.2062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5224   -1.5376    0.2268 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7397   -1.6539   -0.6818 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0589    0.6845   -1.1439 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7677   -0.0388   -2.9334 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3762    1.1630   -1.7010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7629    3.0588   -0.5669 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8936   -2.9863   -1.3211 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9280   -1.7316   -1.3055 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 13 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
  9 23  1  0
 23 24  1  0
 23 25  2  0
 25  6  1  0
 21 11  1  0
  1 26  1  0
  1 27  1  0
  1 28  1  0
  2 29  1  0
  3 30  1  0
  3 31  1  0
  4 32  1  6
  5 33  1  0
  7 34  1  0
  8 35  1  0
 11 36  1  1
 13 37  1  6
 16 38  1  0
 17 39  1  1
 18 40  1  0
 19 41  1  6
 20 42  1  0
 21 43  1  6
 22 44  1  0
 24 45  1  0
 25 46  1  0
M  END


  Mrv0541 02241200512D          

 25 26  0  0  1  0            999 V2000
   17.6841   -6.1198    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5407   -4.8822    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9697   -7.3573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9697   -4.8822    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.2552   -5.2947    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   17.6841   -5.2947    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.2552   -6.1198    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.9697   -6.5323    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   17.6841   -7.7698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3986   -7.3573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6841   -8.5948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1131   -7.7698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3986   -9.0073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1131   -8.5948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3986   -4.8822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9697   -4.0572    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.1131   -5.2947    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.3986   -4.0572    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5407   -6.5323    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9697   -9.0073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.8276   -9.0073    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   19.8276   -9.8324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5421   -8.5949    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.5421  -10.2449    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.5421  -11.0699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  8  1  0  0  0  0
  5  2  1  1  0  0  0
  8  3  1  1  0  0  0
  3  9  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  2  0  0  0  0
 13 14  1  0  0  0  0
  6 15  1  1  0  0  0
  4 16  1  6  0  0  0
 17 15  2  0  0  0  0
 18 15  1  0  0  0  0
  7 19  1  6  0  0  0
 20 11  1  0  0  0  0
 21 14  1  0  0  0  0
 22 21  1  0  0  0  0
 21 23  1  1  0  0  0
 24 22  1  0  0  0  0
 25 24  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0010336

> <DATABASE_NAME>
hmdb

> <SMILES>
CNC[C@H](O)C1=CC=C(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C(O)=C1

> <INCHI_IDENTIFIER>
InChI=1S/C15H21NO9/c1-16-5-8(18)6-2-3-9(7(17)4-6)24-15-12(21)10(19)11(20)13(25-15)14(22)23/h2-4,8,10-13,15-21H,5H2,1H3,(H,22,23)/t8-,10-,11-,12+,13-,15+/m0/s1

> <INCHI_KEY>
BLTFFSZSAZRUSC-FYRJOLOESA-N

> <FORMULA>
C15H21NO9

> <MOLECULAR_WEIGHT>
359.3285

> <EXACT_MASS>
359.121631275

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_AVERAGE_POLARIZABILITY>
34.372047041066516

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{2-hydroxy-4-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenoxy}oxane-2-carboxylic acid

> <ALOGPS_LOGP>
-1.30

> <JCHEM_LOGP>
-4.125616793600546

> <ALOGPS_LOGS>
-0.93

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
9.885726960205439

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.7260848356638903

> <JCHEM_PKA_STRONGEST_BASIC>
9.135359105430862

> <JCHEM_POLAR_SURFACE_AREA>
168.94

> <JCHEM_REFRACTIVITY>
81.2421

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
4.18e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{2-hydroxy-4-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenoxy}oxane-2-carboxylic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0010336
     RDKit          3D
Epinephrine glucuronide
 46 47  0  0  0  0  0  0  0  0999 V2000
    5.9126   -0.8415    1.3507 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1652   -1.5470    0.3018 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1922   -0.8079   -0.9335 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4171    0.4817   -0.8974 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9325    1.3283    0.1091 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9628    0.3119   -0.6812 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2080    1.3814   -0.2234 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8311    1.2215   -0.0305 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1723    0.0433   -0.2730 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1714   -0.1587   -0.0978 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0801    0.7797    0.3580 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.7409    0.4040    1.5179 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0857    0.2146    1.3804 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.7199   -0.3372    2.5706 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1123   -0.6214    3.6341 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0905   -0.5733    2.5493 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2891   -0.7510    0.2057 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.5873   -1.2918    0.2389 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0910    0.1157   -1.0300 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.9093   -0.6511   -2.1683 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0203    1.1131   -0.7752 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.5035    2.4058   -0.5900 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9871   -1.0021   -0.7344 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3426   -2.2064   -0.9877 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3460   -0.8809   -0.9362 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4543   -1.6124    1.9203 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6970   -0.2399    0.8271 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2529   -0.2157    1.9769 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2310   -1.8170    0.6430 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8331   -1.4439   -1.7608 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2679   -0.5638   -1.1451 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5696    0.9979   -1.8499 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8533    2.2819   -0.2152 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7126    2.3178   -0.0280 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2904    2.1032    0.3325 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5632    1.7225    0.6017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5413    1.2127    1.1299 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7194    0.1676    2.2062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5224   -1.5376    0.2268 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7397   -1.6539   -0.6818 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0589    0.6845   -1.1439 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7677   -0.0388   -2.9334 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3762    1.1630   -1.7010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7629    3.0588   -0.5669 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8936   -2.9863   -1.3211 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9280   -1.7316   -1.3055 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 13 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
  9 23  1  0
 23 24  1  0
 23 25  2  0
 25  6  1  0
 21 11  1  0
  1 26  1  0
  1 27  1  0
  1 28  1  0
  2 29  1  0
  3 30  1  0
  3 31  1  0
  4 32  1  6
  5 33  1  0
  7 34  1  0
  8 35  1  0
 11 36  1  1
 13 37  1  6
 16 38  1  0
 17 39  1  1
 18 40  1  0
 19 41  1  6
 20 42  1  0
 21 43  1  6
 22 44  1  0
 24 45  1  0
 25 46  1  0
M  END

HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  O   UNK     0      33.010 -11.424   0.000  0.00  0.00           O+0
HETATM    2  O   UNK     0      29.009  -9.113   0.000  0.00  0.00           O+0
HETATM    3  O   UNK     0      31.677 -13.734   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0      31.677  -9.113   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      30.343  -9.883   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      33.010  -9.883   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      30.343 -11.424   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      31.677 -12.194   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      33.010 -14.504   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      34.344 -13.734   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      33.010 -16.044   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      35.678 -14.504   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      34.344 -16.814   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      35.678 -16.044   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      34.344  -9.113   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0      31.677  -7.573   0.000  0.00  0.00           O+0
HETATM   17  O   UNK     0      35.678  -9.883   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0      34.344  -7.573   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0      29.009 -12.194   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0      31.677 -16.814   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0      37.012 -16.814   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      37.012 -18.354   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0      38.345 -16.044   0.000  0.00  0.00           O+0
HETATM   24  N   UNK     0      38.345 -19.124   0.000  0.00  0.00           N+0
HETATM   25  C   UNK     0      38.345 -20.664   0.000  0.00  0.00           C+0
CONECT    1    6    8                                                       
CONECT    2    5                                                            
CONECT    3    8    9                                                       
CONECT    4    5    6   16                                                  
CONECT    5    2    4    7                                                  
CONECT    6    1    4   15                                                  
CONECT    7    5    8   19                                                  
CONECT    8    1    3    7                                                  
CONECT    9    3   10   11                                                  
CONECT   10    9   12                                                       
CONECT   11    9   13   20                                                  
CONECT   12   10   14                                                       
CONECT   13   11   14                                                       
CONECT   14   12   13   21                                                  
CONECT   15    6   17   18                                                  
CONECT   16    4                                                            
CONECT   17   15                                                            
CONECT   18   15                                                            
CONECT   19    7                                                            
CONECT   20   11                                                            
CONECT   21   14   22   23                                                  
CONECT   22   21   24                                                       
CONECT   23   21                                                            
CONECT   24   22   25                                                       
CONECT   25   24                                                            
MASTER        0    0    0    0    0    0    0    0   25    0   52    0
END

COMPND    HMDB0010336
HETATM    1  C1  UNL     1       5.913  -0.841   1.351  1.00  0.00           C  
HETATM    2  N1  UNL     1       5.165  -1.547   0.302  1.00  0.00           N  
HETATM    3  C2  UNL     1       5.192  -0.808  -0.933  1.00  0.00           C  
HETATM    4  C3  UNL     1       4.417   0.482  -0.897  1.00  0.00           C  
HETATM    5  O1  UNL     1       4.933   1.328   0.109  1.00  0.00           O  
HETATM    6  C4  UNL     1       2.963   0.312  -0.681  1.00  0.00           C  
HETATM    7  C5  UNL     1       2.208   1.381  -0.223  1.00  0.00           C  
HETATM    8  C6  UNL     1       0.831   1.222  -0.030  1.00  0.00           C  
HETATM    9  C7  UNL     1       0.172   0.043  -0.273  1.00  0.00           C  
HETATM   10  O2  UNL     1      -1.171  -0.159  -0.098  1.00  0.00           O  
HETATM   11  C8  UNL     1      -2.080   0.780   0.358  1.00  0.00           C  
HETATM   12  O3  UNL     1      -2.741   0.404   1.518  1.00  0.00           O  
HETATM   13  C9  UNL     1      -4.086   0.215   1.380  1.00  0.00           C  
HETATM   14  C10 UNL     1      -4.720  -0.337   2.571  1.00  0.00           C  
HETATM   15  O4  UNL     1      -4.112  -0.621   3.634  1.00  0.00           O  
HETATM   16  O5  UNL     1      -6.091  -0.573   2.549  1.00  0.00           O  
HETATM   17  C11 UNL     1      -4.289  -0.751   0.206  1.00  0.00           C  
HETATM   18  O6  UNL     1      -5.587  -1.292   0.239  1.00  0.00           O  
HETATM   19  C12 UNL     1      -4.091   0.116  -1.030  1.00  0.00           C  
HETATM   20  O7  UNL     1      -3.909  -0.651  -2.168  1.00  0.00           O  
HETATM   21  C13 UNL     1      -3.020   1.113  -0.775  1.00  0.00           C  
HETATM   22  O8  UNL     1      -3.504   2.406  -0.590  1.00  0.00           O  
HETATM   23  C14 UNL     1       0.987  -1.002  -0.734  1.00  0.00           C  
HETATM   24  O9  UNL     1       0.343  -2.206  -0.988  1.00  0.00           O  
HETATM   25  C15 UNL     1       2.346  -0.881  -0.936  1.00  0.00           C  
HETATM   26  H1  UNL     1       6.454  -1.612   1.920  1.00  0.00           H  
HETATM   27  H2  UNL     1       6.697  -0.240   0.827  1.00  0.00           H  
HETATM   28  H3  UNL     1       5.253  -0.216   1.977  1.00  0.00           H  
HETATM   29  H4  UNL     1       4.231  -1.817   0.643  1.00  0.00           H  
HETATM   30  H5  UNL     1       4.833  -1.444  -1.761  1.00  0.00           H  
HETATM   31  H6  UNL     1       6.268  -0.564  -1.145  1.00  0.00           H  
HETATM   32  H7  UNL     1       4.570   0.998  -1.850  1.00  0.00           H  
HETATM   33  H8  UNL     1       4.853   2.282  -0.215  1.00  0.00           H  
HETATM   34  H9  UNL     1       2.713   2.318  -0.028  1.00  0.00           H  
HETATM   35  H10 UNL     1       0.290   2.103   0.333  1.00  0.00           H  
HETATM   36  H11 UNL     1      -1.563   1.723   0.602  1.00  0.00           H  
HETATM   37  H12 UNL     1      -4.541   1.213   1.130  1.00  0.00           H  
HETATM   38  H13 UNL     1      -6.719   0.168   2.206  1.00  0.00           H  
HETATM   39  H14 UNL     1      -3.522  -1.538   0.227  1.00  0.00           H  
HETATM   40  H15 UNL     1      -5.740  -1.654  -0.682  1.00  0.00           H  
HETATM   41  H16 UNL     1      -5.059   0.684  -1.144  1.00  0.00           H  
HETATM   42  H17 UNL     1      -3.768  -0.039  -2.933  1.00  0.00           H  
HETATM   43  H18 UNL     1      -2.376   1.163  -1.701  1.00  0.00           H  
HETATM   44  H19 UNL     1      -2.763   3.059  -0.567  1.00  0.00           H  
HETATM   45  H20 UNL     1       0.894  -2.986  -1.321  1.00  0.00           H  
HETATM   46  H21 UNL     1       2.928  -1.732  -1.306  1.00  0.00           H  
CONECT    1    2   26   27   28
CONECT    2    3   29
CONECT    3    4   30   31
CONECT    4    5    6   32
CONECT    5   33
CONECT    6    7    7   25
CONECT    7    8   34
CONECT    8    9    9   35
CONECT    9   10   23
CONECT   10   11
CONECT   11   12   21   36
CONECT   12   13
CONECT   13   14   17   37
CONECT   14   15   15   16
CONECT   16   38
CONECT   17   18   19   39
CONECT   18   40
CONECT   19   20   21   41
CONECT   20   42
CONECT   21   22   43
CONECT   22   44
CONECT   23   24   25   25
CONECT   24   45
CONECT   25   46
END

HMDB0010336
     RDKit          3D
Epinephrine glucuronide
 46 47  0  0  0  0  0  0  0  0999 V2000
    5.9126   -0.8415    1.3507 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1652   -1.5470    0.3018 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1922   -0.8079   -0.9335 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4171    0.4817   -0.8974 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9325    1.3283    0.1091 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9628    0.3119   -0.6812 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2080    1.3814   -0.2234 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8311    1.2215   -0.0305 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1723    0.0433   -0.2730 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1714   -0.1587   -0.0978 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0801    0.7797    0.3580 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.7409    0.4040    1.5179 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0857    0.2146    1.3804 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.7199   -0.3372    2.5706 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1123   -0.6214    3.6341 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0905   -0.5733    2.5493 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2891   -0.7510    0.2057 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.5873   -1.2918    0.2389 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0910    0.1157   -1.0300 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.9093   -0.6511   -2.1683 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0203    1.1131   -0.7752 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.5035    2.4058   -0.5900 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9871   -1.0021   -0.7344 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3426   -2.2064   -0.9877 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3460   -0.8809   -0.9362 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4543   -1.6124    1.9203 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6970   -0.2399    0.8271 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2529   -0.2157    1.9769 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2310   -1.8170    0.6430 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8331   -1.4439   -1.7608 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2679   -0.5638   -1.1451 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5696    0.9979   -1.8499 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8533    2.2819   -0.2152 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7126    2.3178   -0.0280 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2904    2.1032    0.3325 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5632    1.7225    0.6017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5413    1.2127    1.1299 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7194    0.1676    2.2062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5224   -1.5376    0.2268 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7397   -1.6539   -0.6818 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0589    0.6845   -1.1439 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7677   -0.0388   -2.9334 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3762    1.1630   -1.7010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7629    3.0588   -0.5669 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8936   -2.9863   -1.3211 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9280   -1.7316   -1.3055 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 13 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
  9 23  1  0
 23 24  1  0
 23 25  2  0
 25  6  1  0
 21 11  1  0
  1 26  1  0
  1 27  1  0
  1 28  1  0
  2 29  1  0
  3 30  1  0
  3 31  1  0
  4 32  1  6
  5 33  1  0
  7 34  1  0
  8 35  1  0
 11 36  1  1
 13 37  1  6
 16 38  1  0
 17 39  1  1
 18 40  1  0
 19 41  1  6
 20 42  1  0
 21 43  1  6
 22 44  1  0
 24 45  1  0
 25 46  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
2-Hydroxy-4-[1-hydroxy-2-(methylamino)ethyl]phenyl beta-D-glucopyranosiduronic acid	HMDB
2-Hydroxy-4-[1-hydroxy-2-(methylamino)ethyl]phenyl beta-delta-glucopyranosiduronic acid	HMDB
L-Epinephrine glucuronide	HMDB
L-Epinephrine monoglucuronide	HMDB
(2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-{2-hydroxy-4-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenoxy}oxane-2-carboxylate	HMDB

Chemical Formula

C₁₅H₂₁NO₉

Average Molecular Weight

359.3285

Monoisotopic Molecular Weight

359.121631275

IUPAC Name

(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{2-hydroxy-4-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenoxy}oxane-2-carboxylic acid

Traditional Name

(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{2-hydroxy-4-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenoxy}oxane-2-carboxylic acid

CAS Registry Number

54964-61-3

SMILES

CNC[C@H](O)C1=CC=C(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C(O)=C1

InChI Identifier

InChI=1S/C15H21NO9/c1-16-5-8(18)6-2-3-9(7(17)4-6)24-15-12(21)10(19)11(20)13(25-15)14(22)23/h2-4,8,10-13,15-21H,5H2,1H3,(H,22,23)/t8-,10-,11-,12+,13-,15+/m0/s1

InChI Key

BLTFFSZSAZRUSC-FYRJOLOESA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as phenolic glycosides. These are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

Phenolic glycosides

Alternative Parents

Substituents

Phenolic glycoside
1-o-glucuronide
O-glucuronide
Glucuronic acid or derivatives
O-glycosyl compound
Phenoxy compound
Phenol ether
Beta-hydroxy acid
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Aralkylamine
Phenol
Monocyclic benzene moiety
Hydroxy acid
Monosaccharide
Oxane
Pyran
Benzenoid
Secondary alcohol
Amino acid or derivatives
1,2-aminoalcohol
Amino acid
Secondary amine
Organoheterocyclic compound
Oxacycle
Polyol
Carboxylic acid derivative
Carboxylic acid
Secondary aliphatic amine
Acetal
Monocarboxylic acid or derivatives
Aromatic alcohol
Amine
Organopnictogen compound
Organic nitrogen compound
Carbonyl group
Alcohol
Organic oxide
Organonitrogen compound
Hydrocarbon derivative
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic compounds

External Descriptors

Not Available

Ontology

Not Available

Non-excretory biofluid

Blood (HMDB: HMDB0010336)

Excreta

Urine (HMDB: HMDB0010336)

Organ

Liver (HMDB: HMDB0010336)
Kidney (HMDB: HMDB0010336)

Cellular substructure

Cytoplasm (HMDB: HMDB0010336)

Source

Endogenous

Endogenous (HMDB: HMDB0010336)

Pheasant (FooDB: FOOD00430)
Squab (FooDB: FOOD00481)
Turkey (FooDB: FOOD00494)
Quail (FooDB: FOOD00541)
Anatidae (FooDB: FOOD00576)
Rock ptarmigan (FooDB: FOOD00597)
Columbidae (Dove, Pigeon) (FooDB: FOOD00610)
Chicken (FooDB: FOOD00329)
Mallard duck (FooDB: FOOD00353)
Emu (FooDB: FOOD00360)
Greylag goose (FooDB: FOOD00368)
Guinea hen (FooDB: FOOD00373)
Ostrich (FooDB: FOOD00422)
Velvet duck (FooDB: FOOD00427)

Lagomorph

Ovis

Sheep (Mutton, Lamb) (FooDB: FOOD00473)

Bovine

Venison

Deer (FooDB: FOOD00524)
Mule deer (FooDB: FOOD00348)
Elk (FooDB: FOOD00359)

Caprae

Domestic goat (FooDB: FOOD00529)

Swine

Domestic pig (FooDB: FOOD00536)
Wild boar (FooDB: FOOD00307)

Equine

Horse (FooDB: FOOD00378)

Process

Not Available

Role

Biological role

Drug metabolite (HMDB: HMDB0010336)

Physical Properties

State

Solid

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
Water Solubility	41.8 g/L	ALOGPS
logP	-1.3	ALOGPS
logP	-4.1	ChemAxon
logS	-0.93	ALOGPS
pKa (Strongest Acidic)	2.73	ChemAxon
pKa (Strongest Basic)	9.14	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	10	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	168.94 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	81.24 m³·mol⁻¹	ChemAxon
Polarizability	34.37 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	Yes	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
DarkChem	[M+H]+	185.842	31661259
DarkChem	[M-H]-	183.473	31661259
DeepCCS	[M+H]+	179.107	30932474
DeepCCS	[M-H]-	176.711	30932474
DeepCCS	[M-2H]-	209.595	30932474
DeepCCS	[M+Na]+	185.019	30932474
AllCCS	[M+H]+	183.4	32859911
AllCCS	[M+H-H2O]+	180.6	32859911
AllCCS	[M+NH4]+	186.0	32859911
AllCCS	[M+Na]+	186.7	32859911
AllCCS	[M-H]-	179.6	32859911
AllCCS	[M+Na-2H]-	179.8	32859911
AllCCS	[M+HCOO]-	180.1	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Epinephrine glucuronide	CNC[C@H](O)C1=CC=C(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C(O)=C1	3845.0	Standard polar	33892256
Epinephrine glucuronide	CNC[C@H](O)C1=CC=C(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C(O)=C1	3109.3	Standard non polar	33892256
Epinephrine glucuronide	CNC[C@H](O)C1=CC=C(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C(O)=C1	3142.6	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Epinephrine glucuronide,1TMS,isomer #1	CNC[C@H](O[Si](C)(C)C)C1=CC=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)C(O)=C1	2952.5	Semi standard non polar	33892256
Epinephrine glucuronide,1TMS,isomer #2	CNC[C@H](O)C1=CC=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)C(O)=C1	2965.7	Semi standard non polar	33892256
Epinephrine glucuronide,1TMS,isomer #3	CNC[C@H](O)C1=CC=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)C(O)=C1	2958.5	Semi standard non polar	33892256
Epinephrine glucuronide,1TMS,isomer #4	CNC[C@H](O)C1=CC=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)C(O)=C1	2966.0	Semi standard non polar	33892256
Epinephrine glucuronide,1TMS,isomer #5	CNC[C@H](O)C1=CC=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2O)C(O)=C1	2957.1	Semi standard non polar	33892256
Epinephrine glucuronide,1TMS,isomer #6	CNC[C@H](O)C1=CC=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)C(O[Si](C)(C)C)=C1	3001.3	Semi standard non polar	33892256
Epinephrine glucuronide,1TMS,isomer #7	CN(C[C@H](O)C1=CC=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)C(O)=C1)[Si](C)(C)C	3114.5	Semi standard non polar	33892256
Epinephrine glucuronide,2TMS,isomer #1	CNC[C@H](O[Si](C)(C)C)C1=CC=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2O)C(O)=C1	2892.3	Semi standard non polar	33892256
Epinephrine glucuronide,2TMS,isomer #10	CNC[C@H](O)C1=CC=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)C(O[Si](C)(C)C)=C1	2952.2	Semi standard non polar	33892256
Epinephrine glucuronide,2TMS,isomer #11	CN(C[C@H](O)C1=CC=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)C(O)=C1)[Si](C)(C)C	3073.5	Semi standard non polar	33892256
Epinephrine glucuronide,2TMS,isomer #12	CNC[C@H](O)C1=CC=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)C(O)=C1	2934.9	Semi standard non polar	33892256
Epinephrine glucuronide,2TMS,isomer #13	CNC[C@H](O)C1=CC=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C(O)=C1	2952.5	Semi standard non polar	33892256
Epinephrine glucuronide,2TMS,isomer #14	CNC[C@H](O)C1=CC=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)C(O[Si](C)(C)C)=C1	2955.8	Semi standard non polar	33892256
Epinephrine glucuronide,2TMS,isomer #15	CN(C[C@H](O)C1=CC=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)C(O)=C1)[Si](C)(C)C	3070.4	Semi standard non polar	33892256
Epinephrine glucuronide,2TMS,isomer #16	CNC[C@H](O)C1=CC=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)C(O)=C1	2936.2	Semi standard non polar	33892256
Epinephrine glucuronide,2TMS,isomer #17	CNC[C@H](O)C1=CC=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)C(O[Si](C)(C)C)=C1	2950.1	Semi standard non polar	33892256
Epinephrine glucuronide,2TMS,isomer #18	CN(C[C@H](O)C1=CC=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)C(O)=C1)[Si](C)(C)C	3077.7	Semi standard non polar	33892256
Epinephrine glucuronide,2TMS,isomer #19	CNC[C@H](O)C1=CC=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2O)C(O[Si](C)(C)C)=C1	2955.1	Semi standard non polar	33892256
Epinephrine glucuronide,2TMS,isomer #2	CNC[C@H](O[Si](C)(C)C)C1=CC=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)C(O)=C1	2894.7	Semi standard non polar	33892256
Epinephrine glucuronide,2TMS,isomer #20	CN(C[C@H](O)C1=CC=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2O)C(O)=C1)[Si](C)(C)C	3075.6	Semi standard non polar	33892256
Epinephrine glucuronide,2TMS,isomer #21	CN(C[C@H](O)C1=CC=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)C(O[Si](C)(C)C)=C1)[Si](C)(C)C	3099.2	Semi standard non polar	33892256
Epinephrine glucuronide,2TMS,isomer #3	CNC[C@H](O[Si](C)(C)C)C1=CC=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)C(O)=C1	2911.4	Semi standard non polar	33892256
Epinephrine glucuronide,2TMS,isomer #4	CNC[C@H](O[Si](C)(C)C)C1=CC=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)C(O)=C1	2905.8	Semi standard non polar	33892256
Epinephrine glucuronide,2TMS,isomer #5	CNC[C@H](O[Si](C)(C)C)C1=CC=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)C(O[Si](C)(C)C)=C1	2933.9	Semi standard non polar	33892256
Epinephrine glucuronide,2TMS,isomer #6	CN(C[C@H](O[Si](C)(C)C)C1=CC=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)C(O)=C1)[Si](C)(C)C	3092.1	Semi standard non polar	33892256
Epinephrine glucuronide,2TMS,isomer #7	CNC[C@H](O)C1=CC=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)C(O)=C1	2945.4	Semi standard non polar	33892256
Epinephrine glucuronide,2TMS,isomer #8	CNC[C@H](O)C1=CC=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)C(O)=C1	2957.0	Semi standard non polar	33892256
Epinephrine glucuronide,2TMS,isomer #9	CNC[C@H](O)C1=CC=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)C(O)=C1	2961.7	Semi standard non polar	33892256
Epinephrine glucuronide,3TMS,isomer #1	CNC[C@H](O[Si](C)(C)C)C1=CC=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)C(O)=C1	2891.2	Semi standard non polar	33892256
Epinephrine glucuronide,3TMS,isomer #10	CNC[C@H](O[Si](C)(C)C)C1=CC=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C(O)=C1	2915.1	Semi standard non polar	33892256
Epinephrine glucuronide,3TMS,isomer #11	CNC[C@H](O[Si](C)(C)C)C1=CC=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)C(O[Si](C)(C)C)=C1	2927.5	Semi standard non polar	33892256
Epinephrine glucuronide,3TMS,isomer #12	CN(C[C@H](O[Si](C)(C)C)C1=CC=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)C(O)=C1)[Si](C)(C)C	3059.1	Semi standard non polar	33892256
Epinephrine glucuronide,3TMS,isomer #13	CNC[C@H](O[Si](C)(C)C)C1=CC=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)C(O[Si](C)(C)C)=C1	2906.4	Semi standard non polar	33892256
Epinephrine glucuronide,3TMS,isomer #14	CN(C[C@H](O[Si](C)(C)C)C1=CC=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)C(O)=C1)[Si](C)(C)C	3060.1	Semi standard non polar	33892256
Epinephrine glucuronide,3TMS,isomer #15	CN(C[C@H](O[Si](C)(C)C)C1=CC=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)C(O[Si](C)(C)C)=C1)[Si](C)(C)C	3074.6	Semi standard non polar	33892256
Epinephrine glucuronide,3TMS,isomer #16	CNC[C@H](O)C1=CC=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)C(O)=C1	2930.6	Semi standard non polar	33892256
Epinephrine glucuronide,3TMS,isomer #17	CNC[C@H](O)C1=CC=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)C(O)=C1	2955.3	Semi standard non polar	33892256
Epinephrine glucuronide,3TMS,isomer #18	CNC[C@H](O)C1=CC=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)C(O[Si](C)(C)C)=C1	2948.9	Semi standard non polar	33892256
Epinephrine glucuronide,3TMS,isomer #19	CN(C[C@H](O)C1=CC=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)C(O)=C1)[Si](C)(C)C	3063.2	Semi standard non polar	33892256
Epinephrine glucuronide,3TMS,isomer #2	CNC[C@H](O[Si](C)(C)C)C1=CC=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)C(O)=C1	2907.5	Semi standard non polar	33892256
Epinephrine glucuronide,3TMS,isomer #20	CNC[C@H](O)C1=CC=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C(O)=C1	2956.2	Semi standard non polar	33892256
Epinephrine glucuronide,3TMS,isomer #21	CNC[C@H](O)C1=CC=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)C(O[Si](C)(C)C)=C1	2947.8	Semi standard non polar	33892256
Epinephrine glucuronide,3TMS,isomer #22	CN(C[C@H](O)C1=CC=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)C(O)=C1)[Si](C)(C)C	3056.5	Semi standard non polar	33892256
Epinephrine glucuronide,3TMS,isomer #23	CNC[C@H](O)C1=CC=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)C(O[Si](C)(C)C)=C1	2949.4	Semi standard non polar	33892256
Epinephrine glucuronide,3TMS,isomer #24	CN(C[C@H](O)C1=CC=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)C(O)=C1)[Si](C)(C)C	3066.9	Semi standard non polar	33892256
Epinephrine glucuronide,3TMS,isomer #25	CN(C[C@H](O)C1=CC=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)C(O[Si](C)(C)C)=C1)[Si](C)(C)C	3072.8	Semi standard non polar	33892256
Epinephrine glucuronide,3TMS,isomer #26	CNC[C@H](O)C1=CC=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C(O)=C1	2923.1	Semi standard non polar	33892256
Epinephrine glucuronide,3TMS,isomer #27	CNC[C@H](O)C1=CC=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)C(O[Si](C)(C)C)=C1	2935.3	Semi standard non polar	33892256
Epinephrine glucuronide,3TMS,isomer #28	CN(C[C@H](O)C1=CC=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)C(O)=C1)[Si](C)(C)C	3051.9	Semi standard non polar	33892256
Epinephrine glucuronide,3TMS,isomer #29	CNC[C@H](O)C1=CC=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C(O[Si](C)(C)C)=C1	2937.5	Semi standard non polar	33892256
Epinephrine glucuronide,3TMS,isomer #3	CNC[C@H](O[Si](C)(C)C)C1=CC=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)C(O)=C1	2892.2	Semi standard non polar	33892256
Epinephrine glucuronide,3TMS,isomer #30	CN(C[C@H](O)C1=CC=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C(O)=C1)[Si](C)(C)C	3053.8	Semi standard non polar	33892256
Epinephrine glucuronide,3TMS,isomer #31	CN(C[C@H](O)C1=CC=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)C(O[Si](C)(C)C)=C1)[Si](C)(C)C	3065.1	Semi standard non polar	33892256
Epinephrine glucuronide,3TMS,isomer #32	CNC[C@H](O)C1=CC=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)C(O[Si](C)(C)C)=C1	2933.9	Semi standard non polar	33892256
Epinephrine glucuronide,3TMS,isomer #33	CN(C[C@H](O)C1=CC=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)C(O)=C1)[Si](C)(C)C	3062.7	Semi standard non polar	33892256
Epinephrine glucuronide,3TMS,isomer #34	CN(C[C@H](O)C1=CC=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)[Si](C)(C)C	3068.4	Semi standard non polar	33892256
Epinephrine glucuronide,3TMS,isomer #35	CN(C[C@H](O)C1=CC=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2O)C(O[Si](C)(C)C)=C1)[Si](C)(C)C	3058.0	Semi standard non polar	33892256
Epinephrine glucuronide,3TMS,isomer #4	CNC[C@H](O[Si](C)(C)C)C1=CC=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2O)C(O[Si](C)(C)C)=C1	2891.0	Semi standard non polar	33892256
Epinephrine glucuronide,3TMS,isomer #5	CN(C[C@H](O[Si](C)(C)C)C1=CC=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2O)C(O)=C1)[Si](C)(C)C	3052.6	Semi standard non polar	33892256
Epinephrine glucuronide,3TMS,isomer #6	CNC[C@H](O[Si](C)(C)C)C1=CC=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)C(O)=C1	2909.0	Semi standard non polar	33892256
Epinephrine glucuronide,3TMS,isomer #7	CNC[C@H](O[Si](C)(C)C)C1=CC=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)C(O)=C1	2924.8	Semi standard non polar	33892256
Epinephrine glucuronide,3TMS,isomer #8	CNC[C@H](O[Si](C)(C)C)C1=CC=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)C(O[Si](C)(C)C)=C1	2914.5	Semi standard non polar	33892256
Epinephrine glucuronide,3TMS,isomer #9	CN(C[C@H](O[Si](C)(C)C)C1=CC=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)C(O)=C1)[Si](C)(C)C	3059.0	Semi standard non polar	33892256
Epinephrine glucuronide,4TMS,isomer #1	CNC[C@H](O[Si](C)(C)C)C1=CC=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)C(O)=C1	2927.8	Semi standard non polar	33892256
Epinephrine glucuronide,4TMS,isomer #10	CN(C[C@H](O[Si](C)(C)C)C1=CC=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2O)C(O[Si](C)(C)C)=C1)[Si](C)(C)C	3048.5	Semi standard non polar	33892256
Epinephrine glucuronide,4TMS,isomer #11	CNC[C@H](O[Si](C)(C)C)C1=CC=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C(O)=C1	2934.5	Semi standard non polar	33892256
Epinephrine glucuronide,4TMS,isomer #12	CNC[C@H](O[Si](C)(C)C)C1=CC=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)C(O[Si](C)(C)C)=C1	2940.4	Semi standard non polar	33892256
Epinephrine glucuronide,4TMS,isomer #13	CN(C[C@H](O[Si](C)(C)C)C1=CC=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)C(O)=C1)[Si](C)(C)C	3064.6	Semi standard non polar	33892256
Epinephrine glucuronide,4TMS,isomer #14	CNC[C@H](O[Si](C)(C)C)C1=CC=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)C(O[Si](C)(C)C)=C1	2952.9	Semi standard non polar	33892256
Epinephrine glucuronide,4TMS,isomer #15	CN(C[C@H](O[Si](C)(C)C)C1=CC=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)C(O)=C1)[Si](C)(C)C	3077.4	Semi standard non polar	33892256
Epinephrine glucuronide,4TMS,isomer #16	CN(C[C@H](O[Si](C)(C)C)C1=CC=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)C(O[Si](C)(C)C)=C1)[Si](C)(C)C	3082.3	Semi standard non polar	33892256
Epinephrine glucuronide,4TMS,isomer #17	CNC[C@H](O[Si](C)(C)C)C1=CC=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C(O[Si](C)(C)C)=C1	2930.4	Semi standard non polar	33892256
Epinephrine glucuronide,4TMS,isomer #18	CN(C[C@H](O[Si](C)(C)C)C1=CC=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C(O)=C1)[Si](C)(C)C	3060.8	Semi standard non polar	33892256
Epinephrine glucuronide,4TMS,isomer #19	CN(C[C@H](O[Si](C)(C)C)C1=CC=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)C(O[Si](C)(C)C)=C1)[Si](C)(C)C	3076.2	Semi standard non polar	33892256
Epinephrine glucuronide,4TMS,isomer #2	CNC[C@H](O[Si](C)(C)C)C1=CC=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)C(O)=C1	2960.1	Semi standard non polar	33892256
Epinephrine glucuronide,4TMS,isomer #20	CN(C[C@H](O[Si](C)(C)C)C1=CC=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)[Si](C)(C)C	3071.7	Semi standard non polar	33892256
Epinephrine glucuronide,4TMS,isomer #21	CNC[C@H](O)C1=CC=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C(O)=C1	2965.8	Semi standard non polar	33892256
Epinephrine glucuronide,4TMS,isomer #22	CNC[C@H](O)C1=CC=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)C(O[Si](C)(C)C)=C1	2946.3	Semi standard non polar	33892256
Epinephrine glucuronide,4TMS,isomer #23	CN(C[C@H](O)C1=CC=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)C(O)=C1)[Si](C)(C)C	3061.1	Semi standard non polar	33892256
Epinephrine glucuronide,4TMS,isomer #24	CNC[C@H](O)C1=CC=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)C(O[Si](C)(C)C)=C1	2968.9	Semi standard non polar	33892256
Epinephrine glucuronide,4TMS,isomer #25	CN(C[C@H](O)C1=CC=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)C(O)=C1)[Si](C)(C)C	3082.4	Semi standard non polar	33892256
Epinephrine glucuronide,4TMS,isomer #26	CN(C[C@H](O)C1=CC=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)C(O[Si](C)(C)C)=C1)[Si](C)(C)C	3071.3	Semi standard non polar	33892256
Epinephrine glucuronide,4TMS,isomer #27	CNC[C@H](O)C1=CC=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C(O[Si](C)(C)C)=C1	2967.6	Semi standard non polar	33892256
Epinephrine glucuronide,4TMS,isomer #28	CN(C[C@H](O)C1=CC=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C(O)=C1)[Si](C)(C)C	3070.5	Semi standard non polar	33892256
Epinephrine glucuronide,4TMS,isomer #29	CN(C[C@H](O)C1=CC=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)C(O[Si](C)(C)C)=C1)[Si](C)(C)C	3083.6	Semi standard non polar	33892256
Epinephrine glucuronide,4TMS,isomer #3	CNC[C@H](O[Si](C)(C)C)C1=CC=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)C(O[Si](C)(C)C)=C1	2936.6	Semi standard non polar	33892256
Epinephrine glucuronide,4TMS,isomer #30	CN(C[C@H](O)C1=CC=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)[Si](C)(C)C	3088.0	Semi standard non polar	33892256
Epinephrine glucuronide,4TMS,isomer #31	CNC[C@H](O)C1=CC=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C(O[Si](C)(C)C)=C1	2936.5	Semi standard non polar	33892256
Epinephrine glucuronide,4TMS,isomer #32	CN(C[C@H](O)C1=CC=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C(O)=C1)[Si](C)(C)C	3057.1	Semi standard non polar	33892256
Epinephrine glucuronide,4TMS,isomer #33	CN(C[C@H](O)C1=CC=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)C(O[Si](C)(C)C)=C1)[Si](C)(C)C	3067.1	Semi standard non polar	33892256
Epinephrine glucuronide,4TMS,isomer #34	CN(C[C@H](O)C1=CC=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)[Si](C)(C)C	3068.2	Semi standard non polar	33892256
Epinephrine glucuronide,4TMS,isomer #35	CN(C[C@H](O)C1=CC=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)[Si](C)(C)C	3065.9	Semi standard non polar	33892256
Epinephrine glucuronide,4TMS,isomer #4	CN(C[C@H](O[Si](C)(C)C)C1=CC=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)C(O)=C1)[Si](C)(C)C	3057.1	Semi standard non polar	33892256
Epinephrine glucuronide,4TMS,isomer #5	CNC[C@H](O[Si](C)(C)C)C1=CC=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C(O)=C1	2925.9	Semi standard non polar	33892256
Epinephrine glucuronide,4TMS,isomer #6	CNC[C@H](O[Si](C)(C)C)C1=CC=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)C(O[Si](C)(C)C)=C1	2933.0	Semi standard non polar	33892256
Epinephrine glucuronide,4TMS,isomer #7	CN(C[C@H](O[Si](C)(C)C)C1=CC=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)C(O)=C1)[Si](C)(C)C	3049.4	Semi standard non polar	33892256
Epinephrine glucuronide,4TMS,isomer #8	CNC[C@H](O[Si](C)(C)C)C1=CC=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)C(O[Si](C)(C)C)=C1	2931.8	Semi standard non polar	33892256
Epinephrine glucuronide,4TMS,isomer #9	CN(C[C@H](O[Si](C)(C)C)C1=CC=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)C(O)=C1)[Si](C)(C)C	3059.1	Semi standard non polar	33892256
Epinephrine glucuronide,5TMS,isomer #1	CNC[C@H](O[Si](C)(C)C)C1=CC=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C(O)=C1	2974.2	Semi standard non polar	33892256
Epinephrine glucuronide,5TMS,isomer #10	CN(C[C@H](O[Si](C)(C)C)C1=CC=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)[Si](C)(C)C	3076.0	Semi standard non polar	33892256
Epinephrine glucuronide,5TMS,isomer #11	CNC[C@H](O[Si](C)(C)C)C1=CC=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C(O[Si](C)(C)C)=C1	2963.3	Semi standard non polar	33892256
Epinephrine glucuronide,5TMS,isomer #12	CN(C[C@H](O[Si](C)(C)C)C1=CC=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C(O)=C1)[Si](C)(C)C	3080.4	Semi standard non polar	33892256
Epinephrine glucuronide,5TMS,isomer #13	CN(C[C@H](O[Si](C)(C)C)C1=CC=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)C(O[Si](C)(C)C)=C1)[Si](C)(C)C	3092.6	Semi standard non polar	33892256
Epinephrine glucuronide,5TMS,isomer #14	CN(C[C@H](O[Si](C)(C)C)C1=CC=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)[Si](C)(C)C	3101.7	Semi standard non polar	33892256
Epinephrine glucuronide,5TMS,isomer #15	CN(C[C@H](O[Si](C)(C)C)C1=CC=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)[Si](C)(C)C	3080.1	Semi standard non polar	33892256
Epinephrine glucuronide,5TMS,isomer #16	CNC[C@H](O)C1=CC=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C(O[Si](C)(C)C)=C1	2985.5	Semi standard non polar	33892256
Epinephrine glucuronide,5TMS,isomer #17	CN(C[C@H](O)C1=CC=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C(O)=C1)[Si](C)(C)C	3096.0	Semi standard non polar	33892256
Epinephrine glucuronide,5TMS,isomer #18	CN(C[C@H](O)C1=CC=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)C(O[Si](C)(C)C)=C1)[Si](C)(C)C	3089.3	Semi standard non polar	33892256
Epinephrine glucuronide,5TMS,isomer #19	CN(C[C@H](O)C1=CC=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)[Si](C)(C)C	3111.1	Semi standard non polar	33892256
Epinephrine glucuronide,5TMS,isomer #2	CNC[C@H](O[Si](C)(C)C)C1=CC=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)C(O[Si](C)(C)C)=C1	2955.6	Semi standard non polar	33892256
Epinephrine glucuronide,5TMS,isomer #20	CN(C[C@H](O)C1=CC=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)[Si](C)(C)C	3100.5	Semi standard non polar	33892256
Epinephrine glucuronide,5TMS,isomer #21	CN(C[C@H](O)C1=CC=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)[Si](C)(C)C	3074.5	Semi standard non polar	33892256
Epinephrine glucuronide,5TMS,isomer #3	CN(C[C@H](O[Si](C)(C)C)C1=CC=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)C(O)=C1)[Si](C)(C)C	3059.7	Semi standard non polar	33892256
Epinephrine glucuronide,5TMS,isomer #4	CNC[C@H](O[Si](C)(C)C)C1=CC=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)C(O[Si](C)(C)C)=C1	2982.6	Semi standard non polar	33892256
Epinephrine glucuronide,5TMS,isomer #5	CN(C[C@H](O[Si](C)(C)C)C1=CC=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)C(O)=C1)[Si](C)(C)C	3079.4	Semi standard non polar	33892256
Epinephrine glucuronide,5TMS,isomer #6	CN(C[C@H](O[Si](C)(C)C)C1=CC=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)C(O[Si](C)(C)C)=C1)[Si](C)(C)C	3080.6	Semi standard non polar	33892256
Epinephrine glucuronide,5TMS,isomer #7	CNC[C@H](O[Si](C)(C)C)C1=CC=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C(O[Si](C)(C)C)=C1	2954.1	Semi standard non polar	33892256
Epinephrine glucuronide,5TMS,isomer #8	CN(C[C@H](O[Si](C)(C)C)C1=CC=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C(O)=C1)[Si](C)(C)C	3057.5	Semi standard non polar	33892256
Epinephrine glucuronide,5TMS,isomer #9	CN(C[C@H](O[Si](C)(C)C)C1=CC=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)C(O[Si](C)(C)C)=C1)[Si](C)(C)C	3073.4	Semi standard non polar	33892256
Epinephrine glucuronide,6TMS,isomer #1	CNC[C@H](O[Si](C)(C)C)C1=CC=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C(O[Si](C)(C)C)=C1	2999.1	Semi standard non polar	33892256
Epinephrine glucuronide,6TMS,isomer #2	CN(C[C@H](O[Si](C)(C)C)C1=CC=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C(O)=C1)[Si](C)(C)C	3084.3	Semi standard non polar	33892256
Epinephrine glucuronide,6TMS,isomer #3	CN(C[C@H](O[Si](C)(C)C)C1=CC=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)C(O[Si](C)(C)C)=C1)[Si](C)(C)C	3090.2	Semi standard non polar	33892256
Epinephrine glucuronide,6TMS,isomer #4	CN(C[C@H](O[Si](C)(C)C)C1=CC=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)[Si](C)(C)C	3108.8	Semi standard non polar	33892256
Epinephrine glucuronide,6TMS,isomer #5	CN(C[C@H](O[Si](C)(C)C)C1=CC=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)[Si](C)(C)C	3085.0	Semi standard non polar	33892256
Epinephrine glucuronide,6TMS,isomer #6	CN(C[C@H](O[Si](C)(C)C)C1=CC=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)[Si](C)(C)C	3111.3	Semi standard non polar	33892256
Epinephrine glucuronide,6TMS,isomer #7	CN(C[C@H](O)C1=CC=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)[Si](C)(C)C	3117.7	Semi standard non polar	33892256
Epinephrine glucuronide,7TMS,isomer #1	CN(C[C@H](O[Si](C)(C)C)C1=CC=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)[Si](C)(C)C	3125.9	Semi standard non polar	33892256
Epinephrine glucuronide,7TMS,isomer #1	CN(C[C@H](O[Si](C)(C)C)C1=CC=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)[Si](C)(C)C	2997.8	Standard non polar	33892256
Epinephrine glucuronide,7TMS,isomer #1	CN(C[C@H](O[Si](C)(C)C)C1=CC=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)[Si](C)(C)C	3216.3	Standard polar	33892256
Epinephrine glucuronide,1TBDMS,isomer #1	CNC[C@H](O[Si](C)(C)C(C)(C)C)C1=CC=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)C(O)=C1	3204.9	Semi standard non polar	33892256
Epinephrine glucuronide,1TBDMS,isomer #2	CNC[C@H](O)C1=CC=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)C(O)=C1	3222.7	Semi standard non polar	33892256
Epinephrine glucuronide,1TBDMS,isomer #3	CNC[C@H](O)C1=CC=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C(O)=C1	3226.0	Semi standard non polar	33892256
Epinephrine glucuronide,1TBDMS,isomer #4	CNC[C@H](O)C1=CC=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C(O)=C1	3232.5	Semi standard non polar	33892256
Epinephrine glucuronide,1TBDMS,isomer #5	CNC[C@H](O)C1=CC=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]2O)C(O)=C1	3234.7	Semi standard non polar	33892256
Epinephrine glucuronide,1TBDMS,isomer #6	CNC[C@H](O)C1=CC=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)C(O[Si](C)(C)C(C)(C)C)=C1	3261.8	Semi standard non polar	33892256
Epinephrine glucuronide,1TBDMS,isomer #7	CN(C[C@H](O)C1=CC=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)C(O)=C1)[Si](C)(C)C(C)(C)C	3384.5	Semi standard non polar	33892256
Epinephrine glucuronide,2TBDMS,isomer #1	CNC[C@H](O[Si](C)(C)C(C)(C)C)C1=CC=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]2O)C(O)=C1	3417.2	Semi standard non polar	33892256
Epinephrine glucuronide,2TBDMS,isomer #10	CNC[C@H](O)C1=CC=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)C(O[Si](C)(C)C(C)(C)C)=C1	3452.8	Semi standard non polar	33892256
Epinephrine glucuronide,2TBDMS,isomer #11	CN(C[C@H](O)C1=CC=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)C(O)=C1)[Si](C)(C)C(C)(C)C	3557.3	Semi standard non polar	33892256
Epinephrine glucuronide,2TBDMS,isomer #12	CNC[C@H](O)C1=CC=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C(O)=C1	3443.9	Semi standard non polar	33892256
Epinephrine glucuronide,2TBDMS,isomer #13	CNC[C@H](O)C1=CC=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)C(O)=C1	3424.3	Semi standard non polar	33892256
Epinephrine glucuronide,2TBDMS,isomer #14	CNC[C@H](O)C1=CC=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C(O[Si](C)(C)C(C)(C)C)=C1	3459.9	Semi standard non polar	33892256
Epinephrine glucuronide,2TBDMS,isomer #15	CN(C[C@H](O)C1=CC=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C(O)=C1)[Si](C)(C)C(C)(C)C	3565.2	Semi standard non polar	33892256
Epinephrine glucuronide,2TBDMS,isomer #16	CNC[C@H](O)C1=CC=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C(O)=C1	3453.3	Semi standard non polar	33892256
Epinephrine glucuronide,2TBDMS,isomer #17	CNC[C@H](O)C1=CC=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1	3460.3	Semi standard non polar	33892256
Epinephrine glucuronide,2TBDMS,isomer #18	CN(C[C@H](O)C1=CC=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C(O)=C1)[Si](C)(C)C(C)(C)C	3577.0	Semi standard non polar	33892256
Epinephrine glucuronide,2TBDMS,isomer #19	CNC[C@H](O)C1=CC=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]2O)C(O[Si](C)(C)C(C)(C)C)=C1	3457.9	Semi standard non polar	33892256
Epinephrine glucuronide,2TBDMS,isomer #2	CNC[C@H](O[Si](C)(C)C(C)(C)C)C1=CC=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)C(O)=C1	3403.7	Semi standard non polar	33892256
Epinephrine glucuronide,2TBDMS,isomer #20	CN(C[C@H](O)C1=CC=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]2O)C(O)=C1)[Si](C)(C)C(C)(C)C	3570.1	Semi standard non polar	33892256
Epinephrine glucuronide,2TBDMS,isomer #21	CN(C[C@H](O)C1=CC=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)C(O[Si](C)(C)C(C)(C)C)=C1)[Si](C)(C)C(C)(C)C	3584.3	Semi standard non polar	33892256
Epinephrine glucuronide,2TBDMS,isomer #3	CNC[C@H](O[Si](C)(C)C(C)(C)C)C1=CC=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C(O)=C1	3413.4	Semi standard non polar	33892256
Epinephrine glucuronide,2TBDMS,isomer #4	CNC[C@H](O[Si](C)(C)C(C)(C)C)C1=CC=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C(O)=C1	3416.5	Semi standard non polar	33892256
Epinephrine glucuronide,2TBDMS,isomer #5	CNC[C@H](O[Si](C)(C)C(C)(C)C)C1=CC=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)C(O[Si](C)(C)C(C)(C)C)=C1	3412.0	Semi standard non polar	33892256
Epinephrine glucuronide,2TBDMS,isomer #6	CN(C[C@H](O[Si](C)(C)C(C)(C)C)C1=CC=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)C(O)=C1)[Si](C)(C)C(C)(C)C	3567.1	Semi standard non polar	33892256
Epinephrine glucuronide,2TBDMS,isomer #7	CNC[C@H](O)C1=CC=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)C(O)=C1	3450.4	Semi standard non polar	33892256
Epinephrine glucuronide,2TBDMS,isomer #8	CNC[C@H](O)C1=CC=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C(O)=C1	3420.7	Semi standard non polar	33892256
Epinephrine glucuronide,2TBDMS,isomer #9	CNC[C@H](O)C1=CC=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C(O)=C1	3426.6	Semi standard non polar	33892256
Epinephrine glucuronide,3TBDMS,isomer #1	CNC[C@H](O[Si](C)(C)C(C)(C)C)C1=CC=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)C(O)=C1	3595.4	Semi standard non polar	33892256
Epinephrine glucuronide,3TBDMS,isomer #10	CNC[C@H](O[Si](C)(C)C(C)(C)C)C1=CC=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)C(O)=C1	3598.8	Semi standard non polar	33892256
Epinephrine glucuronide,3TBDMS,isomer #11	CNC[C@H](O[Si](C)(C)C(C)(C)C)C1=CC=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C(O[Si](C)(C)C(C)(C)C)=C1	3629.9	Semi standard non polar	33892256
Epinephrine glucuronide,3TBDMS,isomer #12	CN(C[C@H](O[Si](C)(C)C(C)(C)C)C1=CC=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C(O)=C1)[Si](C)(C)C(C)(C)C	3765.2	Semi standard non polar	33892256
Epinephrine glucuronide,3TBDMS,isomer #13	CNC[C@H](O[Si](C)(C)C(C)(C)C)C1=CC=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1	3620.4	Semi standard non polar	33892256
Epinephrine glucuronide,3TBDMS,isomer #14	CN(C[C@H](O[Si](C)(C)C(C)(C)C)C1=CC=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C(O)=C1)[Si](C)(C)C(C)(C)C	3776.3	Semi standard non polar	33892256
Epinephrine glucuronide,3TBDMS,isomer #15	CN(C[C@H](O[Si](C)(C)C(C)(C)C)C1=CC=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)C(O[Si](C)(C)C(C)(C)C)=C1)[Si](C)(C)C(C)(C)C	3772.3	Semi standard non polar	33892256
Epinephrine glucuronide,3TBDMS,isomer #16	CNC[C@H](O)C1=CC=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C(O)=C1	3607.0	Semi standard non polar	33892256
Epinephrine glucuronide,3TBDMS,isomer #17	CNC[C@H](O)C1=CC=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C(O)=C1	3640.4	Semi standard non polar	33892256
Epinephrine glucuronide,3TBDMS,isomer #18	CNC[C@H](O)C1=CC=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)C(O[Si](C)(C)C(C)(C)C)=C1	3644.2	Semi standard non polar	33892256
Epinephrine glucuronide,3TBDMS,isomer #19	CN(C[C@H](O)C1=CC=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)C(O)=C1)[Si](C)(C)C(C)(C)C	3755.0	Semi standard non polar	33892256
Epinephrine glucuronide,3TBDMS,isomer #2	CNC[C@H](O[Si](C)(C)C(C)(C)C)C1=CC=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C(O)=C1	3602.2	Semi standard non polar	33892256
Epinephrine glucuronide,3TBDMS,isomer #20	CNC[C@H](O)C1=CC=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)C(O)=C1	3616.1	Semi standard non polar	33892256
Epinephrine glucuronide,3TBDMS,isomer #21	CNC[C@H](O)C1=CC=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C(O[Si](C)(C)C(C)(C)C)=C1	3623.1	Semi standard non polar	33892256
Epinephrine glucuronide,3TBDMS,isomer #22	CN(C[C@H](O)C1=CC=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C(O)=C1)[Si](C)(C)C(C)(C)C	3742.0	Semi standard non polar	33892256
Epinephrine glucuronide,3TBDMS,isomer #23	CNC[C@H](O)C1=CC=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1	3631.6	Semi standard non polar	33892256
Epinephrine glucuronide,3TBDMS,isomer #24	CN(C[C@H](O)C1=CC=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C(O)=C1)[Si](C)(C)C(C)(C)C	3757.0	Semi standard non polar	33892256
Epinephrine glucuronide,3TBDMS,isomer #25	CN(C[C@H](O)C1=CC=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)C(O[Si](C)(C)C(C)(C)C)=C1)[Si](C)(C)C(C)(C)C	3772.1	Semi standard non polar	33892256
Epinephrine glucuronide,3TBDMS,isomer #26	CNC[C@H](O)C1=CC=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)C(O)=C1	3602.3	Semi standard non polar	33892256
Epinephrine glucuronide,3TBDMS,isomer #27	CNC[C@H](O)C1=CC=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C(O[Si](C)(C)C(C)(C)C)=C1	3631.3	Semi standard non polar	33892256
Epinephrine glucuronide,3TBDMS,isomer #28	CN(C[C@H](O)C1=CC=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C(O)=C1)[Si](C)(C)C(C)(C)C	3748.8	Semi standard non polar	33892256
Epinephrine glucuronide,3TBDMS,isomer #29	CNC[C@H](O)C1=CC=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1	3625.3	Semi standard non polar	33892256
Epinephrine glucuronide,3TBDMS,isomer #3	CNC[C@H](O[Si](C)(C)C(C)(C)C)C1=CC=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C(O)=C1	3608.8	Semi standard non polar	33892256
Epinephrine glucuronide,3TBDMS,isomer #30	CN(C[C@H](O)C1=CC=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)C(O)=C1)[Si](C)(C)C(C)(C)C	3751.8	Semi standard non polar	33892256
Epinephrine glucuronide,3TBDMS,isomer #31	CN(C[C@H](O)C1=CC=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C(O[Si](C)(C)C(C)(C)C)=C1)[Si](C)(C)C(C)(C)C	3774.9	Semi standard non polar	33892256
Epinephrine glucuronide,3TBDMS,isomer #32	CNC[C@H](O)C1=CC=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1	3639.8	Semi standard non polar	33892256
Epinephrine glucuronide,3TBDMS,isomer #33	CN(C[C@H](O)C1=CC=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C(O)=C1)[Si](C)(C)C(C)(C)C	3768.2	Semi standard non polar	33892256
Epinephrine glucuronide,3TBDMS,isomer #34	CN(C[C@H](O)C1=CC=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1)[Si](C)(C)C(C)(C)C	3775.5	Semi standard non polar	33892256
Epinephrine glucuronide,3TBDMS,isomer #35	CN(C[C@H](O)C1=CC=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]2O)C(O[Si](C)(C)C(C)(C)C)=C1)[Si](C)(C)C(C)(C)C	3764.2	Semi standard non polar	33892256
Epinephrine glucuronide,3TBDMS,isomer #4	CNC[C@H](O[Si](C)(C)C(C)(C)C)C1=CC=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]2O)C(O[Si](C)(C)C(C)(C)C)=C1	3622.2	Semi standard non polar	33892256
Epinephrine glucuronide,3TBDMS,isomer #5	CN(C[C@H](O[Si](C)(C)C(C)(C)C)C1=CC=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]2O)C(O)=C1)[Si](C)(C)C(C)(C)C	3754.5	Semi standard non polar	33892256
Epinephrine glucuronide,3TBDMS,isomer #6	CNC[C@H](O[Si](C)(C)C(C)(C)C)C1=CC=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C(O)=C1	3589.9	Semi standard non polar	33892256
Epinephrine glucuronide,3TBDMS,isomer #7	CNC[C@H](O[Si](C)(C)C(C)(C)C)C1=CC=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C(O)=C1	3602.7	Semi standard non polar	33892256
Epinephrine glucuronide,3TBDMS,isomer #8	CNC[C@H](O[Si](C)(C)C(C)(C)C)C1=CC=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)C(O[Si](C)(C)C(C)(C)C)=C1	3611.0	Semi standard non polar	33892256
Epinephrine glucuronide,3TBDMS,isomer #9	CN(C[C@H](O[Si](C)(C)C(C)(C)C)C1=CC=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)C(O)=C1)[Si](C)(C)C(C)(C)C	3755.8	Semi standard non polar	33892256
Epinephrine glucuronide,4TBDMS,isomer #1	CNC[C@H](O[Si](C)(C)C(C)(C)C)C1=CC=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C(O)=C1	3759.4	Semi standard non polar	33892256
Epinephrine glucuronide,4TBDMS,isomer #10	CN(C[C@H](O[Si](C)(C)C(C)(C)C)C1=CC=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]2O)C(O[Si](C)(C)C(C)(C)C)=C1)[Si](C)(C)C(C)(C)C	3961.6	Semi standard non polar	33892256
Epinephrine glucuronide,4TBDMS,isomer #11	CNC[C@H](O[Si](C)(C)C(C)(C)C)C1=CC=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)C(O)=C1	3769.6	Semi standard non polar	33892256
Epinephrine glucuronide,4TBDMS,isomer #12	CNC[C@H](O[Si](C)(C)C(C)(C)C)C1=CC=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C(O[Si](C)(C)C(C)(C)C)=C1	3777.1	Semi standard non polar	33892256
Epinephrine glucuronide,4TBDMS,isomer #13	CN(C[C@H](O[Si](C)(C)C(C)(C)C)C1=CC=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C(O)=C1)[Si](C)(C)C(C)(C)C	3946.6	Semi standard non polar	33892256
Epinephrine glucuronide,4TBDMS,isomer #14	CNC[C@H](O[Si](C)(C)C(C)(C)C)C1=CC=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1	3788.6	Semi standard non polar	33892256
Epinephrine glucuronide,4TBDMS,isomer #15	CN(C[C@H](O[Si](C)(C)C(C)(C)C)C1=CC=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C(O)=C1)[Si](C)(C)C(C)(C)C	3959.5	Semi standard non polar	33892256
Epinephrine glucuronide,4TBDMS,isomer #16	CN(C[C@H](O[Si](C)(C)C(C)(C)C)C1=CC=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)C(O[Si](C)(C)C(C)(C)C)=C1)[Si](C)(C)C(C)(C)C	3968.3	Semi standard non polar	33892256
Epinephrine glucuronide,4TBDMS,isomer #17	CNC[C@H](O[Si](C)(C)C(C)(C)C)C1=CC=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1	3777.2	Semi standard non polar	33892256
Epinephrine glucuronide,4TBDMS,isomer #18	CN(C[C@H](O[Si](C)(C)C(C)(C)C)C1=CC=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)C(O)=C1)[Si](C)(C)C(C)(C)C	3946.0	Semi standard non polar	33892256
Epinephrine glucuronide,4TBDMS,isomer #19	CN(C[C@H](O[Si](C)(C)C(C)(C)C)C1=CC=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C(O[Si](C)(C)C(C)(C)C)=C1)[Si](C)(C)C(C)(C)C	3975.3	Semi standard non polar	33892256
Epinephrine glucuronide,4TBDMS,isomer #2	CNC[C@H](O[Si](C)(C)C(C)(C)C)C1=CC=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C(O)=C1	3802.0	Semi standard non polar	33892256
Epinephrine glucuronide,4TBDMS,isomer #20	CN(C[C@H](O[Si](C)(C)C(C)(C)C)C1=CC=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1)[Si](C)(C)C(C)(C)C	3972.3	Semi standard non polar	33892256
Epinephrine glucuronide,4TBDMS,isomer #21	CNC[C@H](O)C1=CC=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)C(O)=C1	3813.2	Semi standard non polar	33892256
Epinephrine glucuronide,4TBDMS,isomer #22	CNC[C@H](O)C1=CC=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C(O[Si](C)(C)C(C)(C)C)=C1	3793.5	Semi standard non polar	33892256
Epinephrine glucuronide,4TBDMS,isomer #23	CN(C[C@H](O)C1=CC=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C(O)=C1)[Si](C)(C)C(C)(C)C	3929.9	Semi standard non polar	33892256
Epinephrine glucuronide,4TBDMS,isomer #24	CNC[C@H](O)C1=CC=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1	3830.9	Semi standard non polar	33892256
Epinephrine glucuronide,4TBDMS,isomer #25	CN(C[C@H](O)C1=CC=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C(O)=C1)[Si](C)(C)C(C)(C)C	3959.0	Semi standard non polar	33892256
Epinephrine glucuronide,4TBDMS,isomer #26	CN(C[C@H](O)C1=CC=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)C(O[Si](C)(C)C(C)(C)C)=C1)[Si](C)(C)C(C)(C)C	3964.5	Semi standard non polar	33892256
Epinephrine glucuronide,4TBDMS,isomer #27	CNC[C@H](O)C1=CC=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1	3801.3	Semi standard non polar	33892256
Epinephrine glucuronide,4TBDMS,isomer #28	CN(C[C@H](O)C1=CC=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)C(O)=C1)[Si](C)(C)C(C)(C)C	3950.8	Semi standard non polar	33892256
Epinephrine glucuronide,4TBDMS,isomer #29	CN(C[C@H](O)C1=CC=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C(O[Si](C)(C)C(C)(C)C)=C1)[Si](C)(C)C(C)(C)C	3960.6	Semi standard non polar	33892256
Epinephrine glucuronide,4TBDMS,isomer #3	CNC[C@H](O[Si](C)(C)C(C)(C)C)C1=CC=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)C(O[Si](C)(C)C(C)(C)C)=C1	3784.0	Semi standard non polar	33892256
Epinephrine glucuronide,4TBDMS,isomer #30	CN(C[C@H](O)C1=CC=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1)[Si](C)(C)C(C)(C)C	3970.1	Semi standard non polar	33892256
Epinephrine glucuronide,4TBDMS,isomer #31	CNC[C@H](O)C1=CC=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1	3790.0	Semi standard non polar	33892256
Epinephrine glucuronide,4TBDMS,isomer #32	CN(C[C@H](O)C1=CC=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)C(O)=C1)[Si](C)(C)C(C)(C)C	3934.8	Semi standard non polar	33892256
Epinephrine glucuronide,4TBDMS,isomer #33	CN(C[C@H](O)C1=CC=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C(O[Si](C)(C)C(C)(C)C)=C1)[Si](C)(C)C(C)(C)C	3957.0	Semi standard non polar	33892256
Epinephrine glucuronide,4TBDMS,isomer #34	CN(C[C@H](O)C1=CC=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1)[Si](C)(C)C(C)(C)C	3955.1	Semi standard non polar	33892256
Epinephrine glucuronide,4TBDMS,isomer #35	CN(C[C@H](O)C1=CC=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1)[Si](C)(C)C(C)(C)C	3969.3	Semi standard non polar	33892256
Epinephrine glucuronide,4TBDMS,isomer #4	CN(C[C@H](O[Si](C)(C)C(C)(C)C)C1=CC=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)C(O)=C1)[Si](C)(C)C(C)(C)C	3944.0	Semi standard non polar	33892256
Epinephrine glucuronide,4TBDMS,isomer #5	CNC[C@H](O[Si](C)(C)C(C)(C)C)C1=CC=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)C(O)=C1	3759.4	Semi standard non polar	33892256
Epinephrine glucuronide,4TBDMS,isomer #6	CNC[C@H](O[Si](C)(C)C(C)(C)C)C1=CC=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C(O[Si](C)(C)C(C)(C)C)=C1	3776.4	Semi standard non polar	33892256
Epinephrine glucuronide,4TBDMS,isomer #7	CN(C[C@H](O[Si](C)(C)C(C)(C)C)C1=CC=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C(O)=C1)[Si](C)(C)C(C)(C)C	3939.3	Semi standard non polar	33892256
Epinephrine glucuronide,4TBDMS,isomer #8	CNC[C@H](O[Si](C)(C)C(C)(C)C)C1=CC=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1	3786.8	Semi standard non polar	33892256
Epinephrine glucuronide,4TBDMS,isomer #9	CN(C[C@H](O[Si](C)(C)C(C)(C)C)C1=CC=C(O[C@@H]2O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C(O)=C1)[Si](C)(C)C(C)(C)C	3958.0	Semi standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Epinephrine glucuronide GC-MS (Non-derivatized) - 70eV, Positive	splash10-0006-9133000000-f32f7fcd9654380d0db0	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Epinephrine glucuronide GC-MS (4 TMS) - 70eV, Positive	splash10-001i-7520039000-bf05d6522203b8f963c7	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Epinephrine glucuronide GC-MS (TBDMS_4_31) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Epinephrine glucuronide GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Epinephrine glucuronide GC-MS ("Epinephrine glucuronide,4TBDMS,#31" TMS) - 70eV, Positive	Not Available	2021-10-14	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Epinephrine glucuronide 10V, Positive-QTOF	splash10-029x-0907000000-16a0c56da154c3e4f7b6	2016-08-02	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Epinephrine glucuronide 20V, Positive-QTOF	splash10-014i-0901000000-aa6fccb97875b460b3f5	2016-08-02	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Epinephrine glucuronide 40V, Positive-QTOF	splash10-014i-1900000000-c74a11ac8c4e945d7b86	2016-08-02	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Epinephrine glucuronide 10V, Negative-QTOF	splash10-0bu0-2729000000-4ee7770c0103a84a5cd0	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Epinephrine glucuronide 20V, Negative-QTOF	splash10-03e9-1911000000-4361d39635214136c3a5	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Epinephrine glucuronide 40V, Negative-QTOF	splash10-053r-3900000000-098da14b6e24d5b98cef	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Epinephrine glucuronide 10V, Negative-QTOF	splash10-0a4i-0019000000-e1a16f4a5ee4986cb32c	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Epinephrine glucuronide 20V, Negative-QTOF	splash10-01ot-1295000000-24b252dbe6c13b97a3cf	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Epinephrine glucuronide 40V, Negative-QTOF	splash10-0r0r-3910000000-7687a1a37baf6e66a843	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Epinephrine glucuronide 10V, Positive-QTOF	splash10-0296-0409000000-8626b4e0625a2a75965a	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Epinephrine glucuronide 20V, Positive-QTOF	splash10-014i-0923000000-a1d0ab08912b6fb48eaf	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Epinephrine glucuronide 40V, Positive-QTOF	splash10-00kb-1910000000-9a8cb15cb16f7117edcf	2021-09-25	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm

Biospecimen Locations

Blood
Urine

Tissue Locations

Kidney
Liver

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Expected but not Quantified	Not Quantified	Not Available	Not Available	Normal	Not Available	details
Urine	Expected but not Quantified	Not Quantified	Not Available	Not Available	Normal	Not Available	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

FDB027488

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Beta-D-Glucuronides

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

53480450

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

Not Available

Only showing the first 10 proteins. There are 18 proteins in total.

Show all enzymes and transporters

Enzymes

Enzyme Details

1. UDP-glucuronosyltransferase 2B28

General function:: Involved in transferase activity, transferring hexosyl groups
Specific function:: UDPGTs are of major importance in the conjugation and subsequent elimination of potentially toxic xenobiotics and endogenous compounds. This isozyme has glucuronidating capacity with steroid substrates such as 5-beta-androstane 3-alpha,17-beta-diol, estradiol, ADT, eugenol and bile acids. Only isoform 1 seems to be active.
Gene Name:: UGT2B28
Uniprot ID:: Q9BY64
Molecular weight:: 38742.9

Enzyme Details

2. UDP-glucuronosyltransferase 2B4

General function:: Involved in transferase activity, transferring hexosyl groups
Specific function:: UDPGTs are of major importance in the conjugation and subsequent elimination of potentially toxic xenobiotics and endogenous compounds. This isozyme is active on polyhydroxylated estrogens (such as estriol, 4-hydroxyestrone and 2-hydroxyestriol) and xenobiotics (such as 4-methylumbelliferone, 1-naphthol, 4-nitrophenol, 2-aminophenol, 4-hydroxybiphenyl and menthol). It is capable of 6 alpha-hydroxyglucuronidation of hyodeoxycholic acid.
Gene Name:: UGT2B4
Uniprot ID:: P06133
Molecular weight:: 60512.035

Enzyme Details

3. UDP-glucuronosyltransferase 1-4

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.
Gene Name:: UGT1A4
Uniprot ID:: P22310
Molecular weight:: 60024.535

Enzyme Details

4. UDP-glucuronosyltransferase 2B7

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. Its unique specificity for 3,4-catechol estrogens and estriol suggests it may play an important role in regulating the level and activity of these potent and active estrogen metabolites. Is also active with androsterone, hyodeoxycholic acid and tetrachlorocatechol (in vitro).
Gene Name:: UGT2B7
Uniprot ID:: P16662
Molecular weight:: 60720.15

Enzyme Details

5. UDP-glucuronosyltransferase 2B15

General function:: Involved in transferase activity, transferring hexosyl groups
Specific function:: UDPGTs are of major importance in the conjugation and subsequent elimination of potentially toxic xenobiotics and endogenous compounds. This isozyme displays activity toward several classes of xenobiotic substrates, including simple phenolic compounds, 7-hydroxylated coumarins, flavonoids, anthraquinones, and certain drugs and their hydroxylated metabolites. It also catalyzes the glucuronidation of endogenous estrogens and androgens.
Gene Name:: UGT2B15
Uniprot ID:: P54855
Molecular weight:: 61035.815

Enzyme Details

6. UDP-glucuronosyltransferase 2A1

General function:: Involved in transferase activity, transferring hexosyl groups
Specific function:: UDP-glucuronosyltransferases catalyze phase II biotransformation reactions in which lipophilic substrates are conjugated with glucuronic acid to increase water solubility and enhance excretion. They are of major importance in the conjugation and subsequent elimination of potentially toxic xenobiotics and endogenous compounds. Active on odorants and seems to be involved in olfaction; it could help clear lipophilic odorant molecules from the sensory epithelium.
Gene Name:: UGT2A1
Uniprot ID:: Q9Y4X1
Molecular weight:: 60771.605

Enzyme Details

7. 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

Enzyme Details

8. UDP-glucuronosyltransferase 1-9

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 has specificity for phenols.
Gene Name:: UGT1A9
Uniprot ID:: O60656
Molecular weight:: 59940.495

Enzyme Details

9. UDP-glucuronosyltransferase 1-3

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.
Gene Name:: UGT1A3
Uniprot ID:: P35503
Molecular weight:: 60337.835

Enzyme Details

10. UDP-glucuronosyltransferase 2B17

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. The major substrates of this isozyme are eugenol > 4-methylumbelliferone > dihydrotestosterone (DHT) > androstane-3-alpha,17-beta-diol (3-alpha-diol) > testosterone > androsterone (ADT).
Gene Name:: UGT2B17
Uniprot ID:: O75795
Molecular weight:: 61094.915

Only showing the first 10 proteins. There are 18 proteins in total.

Show all enzymes and transporters

Showing metabocard for Epinephrine glucuronide (HMDB0010336)

MOL for HMDB0010336 (Epinephrine glucuronide)

3D MOL for HMDB0010336 (Epinephrine glucuronide)

3D SDF for HMDB0010336 (Epinephrine glucuronide)

3D-SDF for HMDB0010336 (Epinephrine glucuronide)

PDB for HMDB0010336 (Epinephrine glucuronide)

3D PDB for HMDB0010336 (Epinephrine glucuronide)

SMILES for HMDB0010336 (Epinephrine glucuronide)

INCHI for HMDB0010336 (Epinephrine glucuronide)

Structure for HMDB0010336 (Epinephrine glucuronide)

3D Structure for HMDB0010336 (Epinephrine glucuronide)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra

Enzymes