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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2008-09-16 08:23:44 UTC
Update Date2022-03-07 02:50:53 UTC
HMDB IDHMDB0010353
Secondary Accession Numbers
  • HMDB10353
Metabolite Identification
Common Name15-Hydroxynorandrostene-3,17-dione glucuronide
Description15-hydroxynorandrostene-3,17-dione glucuronide is a natural human metabolite of 15-hydroxynorandrostene-3,17-dione 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
Data?1582752818
Synonyms
ValueSource
15-HNADGHMDB
15-Hydroxynorandrostene-3,17-dione glucuronosideHMDB
15alpha-Hydroxynorandrost-4-ene-3,17-dione glucuronideHMDB
15alpha-Hydroxynorandrost-4-ene-3,17-dione glucuronosideHMDB
Androst-4-ene-3,17-dione, 15-hydroxy glucuronideHMDB
15 alpha-Hydroxynorandrost-4-ene-3,17-dione glucuronideHMDB
Chemical FormulaC24H32O9
Average Molecular Weight464.5055
Monoisotopic Molecular Weight464.204632622
IUPAC Name(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-{[(1S,2R,10R,11S,12S,15S)-15-methyl-5,14-dioxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-6-en-12-yl]oxy}oxane-2-carboxylic acid
Traditional Name(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-{[(1S,2R,10R,11S,12S,15S)-15-methyl-5,14-dioxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-6-en-12-yl]oxy}oxane-2-carboxylic acid
CAS Registry Number131749-23-0
SMILES
[H][C@@]12[C@H](CC(=O)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H])O[C@]1([H])O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O
InChI Identifier
InChI=1S/C24H32O9/c1-24-7-6-13-12-5-3-11(25)8-10(12)2-4-14(13)17(24)15(9-16(24)26)32-23-20(29)18(27)19(28)21(33-23)22(30)31/h8,12-15,17-21,23,27-29H,2-7,9H2,1H3,(H,30,31)/t12-,13+,14+,15-,17+,18-,19-,20+,21-,23+,24+/m0/s1
InChI KeyADQUXZRKOKKULD-CZOXBATISA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as steroidal glycosides. These are sterol lipids containing a carbohydrate moiety glycosidically linked to the steroid skeleton.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassSteroids and steroid derivatives
Sub ClassSteroidal glycosides
Direct ParentSteroidal glycosides
Alternative Parents
Substituents
  • Steroidal glycoside
  • Estrogen-skeleton
  • 3-oxo-delta-4-steroid
  • 3-oxosteroid
  • Estrane-skeleton
  • 17-oxosteroid
  • Oxosteroid
  • Delta-4-steroid
  • 1-o-glucuronide
  • O-glucuronide
  • Glucuronic acid or derivatives
  • O-glycosyl compound
  • Glycosyl compound
  • Cyclohexenone
  • Beta-hydroxy acid
  • Oxane
  • Pyran
  • Monosaccharide
  • Hydroxy acid
  • Cyclic ketone
  • Secondary alcohol
  • Ketone
  • Monocarboxylic acid or derivatives
  • Acetal
  • Oxacycle
  • Organoheterocyclic compound
  • Polyol
  • Carboxylic acid
  • Carboxylic acid derivative
  • Organooxygen compound
  • Carbonyl group
  • Hydrocarbon derivative
  • Alcohol
  • Organic oxygen compound
  • Organic oxide
  • Aliphatic heteropolycyclic compound
Molecular FrameworkAliphatic heteropolycyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
Biological locationRoute of exposureSource
Process
Role
Physical Properties
StateSolid
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 Solubility1.44 g/LALOGPS
logP0.75ALOGPS
logP1.03ChemAxon
logS-2.5ALOGPS
pKa (Strongest Acidic)3.46ChemAxon
pKa (Strongest Basic)-3.7ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count9ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area150.59 ŲChemAxon
Rotatable Bond Count3ChemAxon
Refractivity112.85 m³·mol⁻¹ChemAxon
Polarizability47.39 ųChemAxon
Number of Rings5ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DeepCCS[M-2H]-232.50630932474
DeepCCS[M+Na]+206.5330932474
AllCCS[M+H]+208.432859911
AllCCS[M+H-H2O]+206.732859911
AllCCS[M+NH4]+210.032859911
AllCCS[M+Na]+210.432859911
AllCCS[M-H]-203.332859911
AllCCS[M+Na-2H]-204.132859911
AllCCS[M+HCOO]-205.132859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
15-Hydroxynorandrostene-3,17-dione glucuronide[H][C@@]12[C@H](CC(=O)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H])O[C@]1([H])O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O4859.9Standard polar33892256
15-Hydroxynorandrostene-3,17-dione glucuronide[H][C@@]12[C@H](CC(=O)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H])O[C@]1([H])O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O3634.3Standard non polar33892256
15-Hydroxynorandrostene-3,17-dione glucuronide[H][C@@]12[C@H](CC(=O)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H])O[C@]1([H])O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O4224.7Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
15-Hydroxynorandrostene-3,17-dione glucuronide,1TMS,isomer #1C[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4CC[C@H]3[C@@H]1[C@@H](O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O)CC2=O3980.9Semi standard non polar33892256
15-Hydroxynorandrostene-3,17-dione glucuronide,1TMS,isomer #2C[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4CC[C@H]3[C@@H]1[C@@H](O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O)CC2=O4003.1Semi standard non polar33892256
15-Hydroxynorandrostene-3,17-dione glucuronide,1TMS,isomer #3C[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4CC[C@H]3[C@@H]1[C@@H](O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C)CC2=O3989.3Semi standard non polar33892256
15-Hydroxynorandrostene-3,17-dione glucuronide,1TMS,isomer #4C[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4CC[C@H]3[C@@H]1[C@@H](O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O)CC2=O3929.9Semi standard non polar33892256
15-Hydroxynorandrostene-3,17-dione glucuronide,1TMS,isomer #5C[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4CC[C@H]3[C@@H]1[C@@H](O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)C=C2O[Si](C)(C)C3874.3Semi standard non polar33892256
15-Hydroxynorandrostene-3,17-dione glucuronide,1TMS,isomer #6C[C@]12CC[C@@H]3[C@H]4CC=C(O[Si](C)(C)C)C=C4CC[C@H]3[C@@H]1[C@@H](O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)CC2=O3883.8Semi standard non polar33892256
15-Hydroxynorandrostene-3,17-dione glucuronide,2TMS,isomer #1C[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4CC[C@H]3[C@@H]1[C@@H](O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O)CC2=O3920.0Semi standard non polar33892256
15-Hydroxynorandrostene-3,17-dione glucuronide,2TMS,isomer #10C[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4CC[C@H]3[C@@H]1[C@@H](O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C)CC2=O3902.8Semi standard non polar33892256
15-Hydroxynorandrostene-3,17-dione glucuronide,2TMS,isomer #11C[C@]12CC[C@@H]3[C@H]4CC=C(O[Si](C)(C)C)C=C4CC[C@H]3[C@@H]1[C@@H](O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C)CC2=O3831.5Semi standard non polar33892256
15-Hydroxynorandrostene-3,17-dione glucuronide,2TMS,isomer #12C[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4CC[C@H]3[C@@H]1[C@@H](O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C)C=C2O[Si](C)(C)C3813.9Semi standard non polar33892256
15-Hydroxynorandrostene-3,17-dione glucuronide,2TMS,isomer #13C[C@]12CC[C@@H]3[C@H]4CC=C(O[Si](C)(C)C)C=C4CC[C@H]3[C@@H]1[C@@H](O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O)CC2=O3813.0Semi standard non polar33892256
15-Hydroxynorandrostene-3,17-dione glucuronide,2TMS,isomer #14C[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4CC[C@H]3[C@@H]1[C@@H](O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O)C=C2O[Si](C)(C)C3790.1Semi standard non polar33892256
15-Hydroxynorandrostene-3,17-dione glucuronide,2TMS,isomer #15C[C@]12CC[C@@H]3[C@H]4CC=C(O[Si](C)(C)C)C=C4CC[C@H]3[C@@H]1[C@@H](O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)C=C2O[Si](C)(C)C3765.1Semi standard non polar33892256
15-Hydroxynorandrostene-3,17-dione glucuronide,2TMS,isomer #2C[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4CC[C@H]3[C@@H]1[C@@H](O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O)CC2=O3951.6Semi standard non polar33892256
15-Hydroxynorandrostene-3,17-dione glucuronide,2TMS,isomer #3C[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4CC[C@H]3[C@@H]1[C@@H](O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C)CC2=O3938.6Semi standard non polar33892256
15-Hydroxynorandrostene-3,17-dione glucuronide,2TMS,isomer #4C[C@]12CC[C@@H]3[C@H]4CC=C(O[Si](C)(C)C)C=C4CC[C@H]3[C@@H]1[C@@H](O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O)CC2=O3839.9Semi standard non polar33892256
15-Hydroxynorandrostene-3,17-dione glucuronide,2TMS,isomer #5C[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4CC[C@H]3[C@@H]1[C@@H](O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O)C=C2O[Si](C)(C)C3814.5Semi standard non polar33892256
15-Hydroxynorandrostene-3,17-dione glucuronide,2TMS,isomer #6C[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4CC[C@H]3[C@@H]1[C@@H](O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O)CC2=O3926.2Semi standard non polar33892256
15-Hydroxynorandrostene-3,17-dione glucuronide,2TMS,isomer #7C[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4CC[C@H]3[C@@H]1[C@@H](O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)CC2=O3937.9Semi standard non polar33892256
15-Hydroxynorandrostene-3,17-dione glucuronide,2TMS,isomer #8C[C@]12CC[C@@H]3[C@H]4CC=C(O[Si](C)(C)C)C=C4CC[C@H]3[C@@H]1[C@@H](O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O)CC2=O3844.6Semi standard non polar33892256
15-Hydroxynorandrostene-3,17-dione glucuronide,2TMS,isomer #9C[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4CC[C@H]3[C@@H]1[C@@H](O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O)C=C2O[Si](C)(C)C3834.7Semi standard non polar33892256
15-Hydroxynorandrostene-3,17-dione glucuronide,3TMS,isomer #1C[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4CC[C@H]3[C@@H]1[C@@H](O[C@@H]1O[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]1O)CC2=O3913.2Semi standard non polar33892256
15-Hydroxynorandrostene-3,17-dione glucuronide,3TMS,isomer #10C[C@]12CC[C@@H]3[C@H]4CC=C(O[Si](C)(C)C)C=C4CC[C@H]3[C@@H]1[C@@H](O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O)C=C2O[Si](C)(C)C3705.7Semi standard non polar33892256
15-Hydroxynorandrostene-3,17-dione glucuronide,3TMS,isomer #11C[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4CC[C@H]3[C@@H]1[C@@H](O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)CC2=O3900.7Semi standard non polar33892256
15-Hydroxynorandrostene-3,17-dione glucuronide,3TMS,isomer #12C[C@]12CC[C@@H]3[C@H]4CC=C(O[Si](C)(C)C)C=C4CC[C@H]3[C@@H]1[C@@H](O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O)CC2=O3812.4Semi standard non polar33892256
15-Hydroxynorandrostene-3,17-dione glucuronide,3TMS,isomer #13C[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4CC[C@H]3[C@@H]1[C@@H](O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O)C=C2O[Si](C)(C)C3786.6Semi standard non polar33892256
15-Hydroxynorandrostene-3,17-dione glucuronide,3TMS,isomer #14C[C@]12CC[C@@H]3[C@H]4CC=C(O[Si](C)(C)C)C=C4CC[C@H]3[C@@H]1[C@@H](O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)CC2=O3804.1Semi standard non polar33892256
15-Hydroxynorandrostene-3,17-dione glucuronide,3TMS,isomer #15C[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4CC[C@H]3[C@@H]1[C@@H](O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)C=C2O[Si](C)(C)C3784.7Semi standard non polar33892256
15-Hydroxynorandrostene-3,17-dione glucuronide,3TMS,isomer #16C[C@]12CC[C@@H]3[C@H]4CC=C(O[Si](C)(C)C)C=C4CC[C@H]3[C@@H]1[C@@H](O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O)C=C2O[Si](C)(C)C3700.9Semi standard non polar33892256
15-Hydroxynorandrostene-3,17-dione glucuronide,3TMS,isomer #17C[C@]12CC[C@@H]3[C@H]4CC=C(O[Si](C)(C)C)C=C4CC[C@H]3[C@@H]1[C@@H](O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C)CC2=O3797.9Semi standard non polar33892256
15-Hydroxynorandrostene-3,17-dione glucuronide,3TMS,isomer #18C[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4CC[C@H]3[C@@H]1[C@@H](O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C)C=C2O[Si](C)(C)C3766.2Semi standard non polar33892256
15-Hydroxynorandrostene-3,17-dione glucuronide,3TMS,isomer #19C[C@]12CC[C@@H]3[C@H]4CC=C(O[Si](C)(C)C)C=C4CC[C@H]3[C@@H]1[C@@H](O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C)C=C2O[Si](C)(C)C3695.0Semi standard non polar33892256
15-Hydroxynorandrostene-3,17-dione glucuronide,3TMS,isomer #2C[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4CC[C@H]3[C@@H]1[C@@H](O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C)CC2=O3901.8Semi standard non polar33892256
15-Hydroxynorandrostene-3,17-dione glucuronide,3TMS,isomer #20C[C@]12CC[C@@H]3[C@H]4CC=C(O[Si](C)(C)C)C=C4CC[C@H]3[C@@H]1[C@@H](O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O)C=C2O[Si](C)(C)C3703.6Semi standard non polar33892256
15-Hydroxynorandrostene-3,17-dione glucuronide,3TMS,isomer #3C[C@]12CC[C@@H]3[C@H]4CC=C(O[Si](C)(C)C)C=C4CC[C@H]3[C@@H]1[C@@H](O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O)CC2=O3812.1Semi standard non polar33892256
15-Hydroxynorandrostene-3,17-dione glucuronide,3TMS,isomer #4C[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4CC[C@H]3[C@@H]1[C@@H](O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O)C=C2O[Si](C)(C)C3785.7Semi standard non polar33892256
15-Hydroxynorandrostene-3,17-dione glucuronide,3TMS,isomer #5C[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4CC[C@H]3[C@@H]1[C@@H](O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)CC2=O3915.6Semi standard non polar33892256
15-Hydroxynorandrostene-3,17-dione glucuronide,3TMS,isomer #6C[C@]12CC[C@@H]3[C@H]4CC=C(O[Si](C)(C)C)C=C4CC[C@H]3[C@@H]1[C@@H](O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O)CC2=O3816.6Semi standard non polar33892256
15-Hydroxynorandrostene-3,17-dione glucuronide,3TMS,isomer #7C[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4CC[C@H]3[C@@H]1[C@@H](O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O)C=C2O[Si](C)(C)C3794.6Semi standard non polar33892256
15-Hydroxynorandrostene-3,17-dione glucuronide,3TMS,isomer #8C[C@]12CC[C@@H]3[C@H]4CC=C(O[Si](C)(C)C)C=C4CC[C@H]3[C@@H]1[C@@H](O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C)CC2=O3814.0Semi standard non polar33892256
15-Hydroxynorandrostene-3,17-dione glucuronide,3TMS,isomer #9C[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4CC[C@H]3[C@@H]1[C@@H](O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C)C=C2O[Si](C)(C)C3788.0Semi standard non polar33892256
15-Hydroxynorandrostene-3,17-dione glucuronide,4TMS,isomer #1C[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4CC[C@H]3[C@@H]1[C@@H](O[C@@H]1O[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]1O[Si](C)(C)C)CC2=O3890.8Semi standard non polar33892256
15-Hydroxynorandrostene-3,17-dione glucuronide,4TMS,isomer #10C[C@]12CC[C@@H]3[C@H]4CC=C(O[Si](C)(C)C)C=C4CC[C@H]3[C@@H]1[C@@H](O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C)C=C2O[Si](C)(C)C3677.7Semi standard non polar33892256
15-Hydroxynorandrostene-3,17-dione glucuronide,4TMS,isomer #11C[C@]12CC[C@@H]3[C@H]4CC=C(O[Si](C)(C)C)C=C4CC[C@H]3[C@@H]1[C@@H](O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)CC2=O3819.2Semi standard non polar33892256
15-Hydroxynorandrostene-3,17-dione glucuronide,4TMS,isomer #12C[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4CC[C@H]3[C@@H]1[C@@H](O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)C=C2O[Si](C)(C)C3769.9Semi standard non polar33892256
15-Hydroxynorandrostene-3,17-dione glucuronide,4TMS,isomer #13C[C@]12CC[C@@H]3[C@H]4CC=C(O[Si](C)(C)C)C=C4CC[C@H]3[C@@H]1[C@@H](O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O)C=C2O[Si](C)(C)C3687.8Semi standard non polar33892256
15-Hydroxynorandrostene-3,17-dione glucuronide,4TMS,isomer #14C[C@]12CC[C@@H]3[C@H]4CC=C(O[Si](C)(C)C)C=C4CC[C@H]3[C@@H]1[C@@H](O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)C=C2O[Si](C)(C)C3671.2Semi standard non polar33892256
15-Hydroxynorandrostene-3,17-dione glucuronide,4TMS,isomer #15C[C@]12CC[C@@H]3[C@H]4CC=C(O[Si](C)(C)C)C=C4CC[C@H]3[C@@H]1[C@@H](O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C)C=C2O[Si](C)(C)C3677.4Semi standard non polar33892256
15-Hydroxynorandrostene-3,17-dione glucuronide,4TMS,isomer #2C[C@]12CC[C@@H]3[C@H]4CC=C(O[Si](C)(C)C)C=C4CC[C@H]3[C@@H]1[C@@H](O[C@@H]1O[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]1O)CC2=O3823.5Semi standard non polar33892256
15-Hydroxynorandrostene-3,17-dione glucuronide,4TMS,isomer #3C[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4CC[C@H]3[C@@H]1[C@@H](O[C@@H]1O[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]1O)C=C2O[Si](C)(C)C3778.3Semi standard non polar33892256
15-Hydroxynorandrostene-3,17-dione glucuronide,4TMS,isomer #4C[C@]12CC[C@@H]3[C@H]4CC=C(O[Si](C)(C)C)C=C4CC[C@H]3[C@@H]1[C@@H](O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C)CC2=O3818.9Semi standard non polar33892256
15-Hydroxynorandrostene-3,17-dione glucuronide,4TMS,isomer #5C[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4CC[C@H]3[C@@H]1[C@@H](O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C)C=C2O[Si](C)(C)C3780.4Semi standard non polar33892256
15-Hydroxynorandrostene-3,17-dione glucuronide,4TMS,isomer #6C[C@]12CC[C@@H]3[C@H]4CC=C(O[Si](C)(C)C)C=C4CC[C@H]3[C@@H]1[C@@H](O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O)C=C2O[Si](C)(C)C3694.6Semi standard non polar33892256
15-Hydroxynorandrostene-3,17-dione glucuronide,4TMS,isomer #7C[C@]12CC[C@@H]3[C@H]4CC=C(O[Si](C)(C)C)C=C4CC[C@H]3[C@@H]1[C@@H](O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)CC2=O3807.3Semi standard non polar33892256
15-Hydroxynorandrostene-3,17-dione glucuronide,4TMS,isomer #8C[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4CC[C@H]3[C@@H]1[C@@H](O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)C=C2O[Si](C)(C)C3778.6Semi standard non polar33892256
15-Hydroxynorandrostene-3,17-dione glucuronide,4TMS,isomer #9C[C@]12CC[C@@H]3[C@H]4CC=C(O[Si](C)(C)C)C=C4CC[C@H]3[C@@H]1[C@@H](O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O)C=C2O[Si](C)(C)C3687.2Semi standard non polar33892256
15-Hydroxynorandrostene-3,17-dione glucuronide,5TMS,isomer #1C[C@]12CC[C@@H]3[C@H]4CC=C(O[Si](C)(C)C)C=C4CC[C@H]3[C@@H]1[C@@H](O[C@@H]1O[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]1O[Si](C)(C)C)CC2=O3793.0Semi standard non polar33892256
15-Hydroxynorandrostene-3,17-dione glucuronide,5TMS,isomer #1C[C@]12CC[C@@H]3[C@H]4CC=C(O[Si](C)(C)C)C=C4CC[C@H]3[C@@H]1[C@@H](O[C@@H]1O[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]1O[Si](C)(C)C)CC2=O4057.3Standard non polar33892256
15-Hydroxynorandrostene-3,17-dione glucuronide,5TMS,isomer #1C[C@]12CC[C@@H]3[C@H]4CC=C(O[Si](C)(C)C)C=C4CC[C@H]3[C@@H]1[C@@H](O[C@@H]1O[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]1O[Si](C)(C)C)CC2=O4348.0Standard polar33892256
15-Hydroxynorandrostene-3,17-dione glucuronide,5TMS,isomer #2C[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4CC[C@H]3[C@@H]1[C@@H](O[C@@H]1O[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]1O[Si](C)(C)C)C=C2O[Si](C)(C)C3750.8Semi standard non polar33892256
15-Hydroxynorandrostene-3,17-dione glucuronide,5TMS,isomer #2C[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4CC[C@H]3[C@@H]1[C@@H](O[C@@H]1O[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]1O[Si](C)(C)C)C=C2O[Si](C)(C)C3830.7Standard non polar33892256
15-Hydroxynorandrostene-3,17-dione glucuronide,5TMS,isomer #2C[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4CC[C@H]3[C@@H]1[C@@H](O[C@@H]1O[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]1O[Si](C)(C)C)C=C2O[Si](C)(C)C4286.6Standard polar33892256
15-Hydroxynorandrostene-3,17-dione glucuronide,5TMS,isomer #3C[C@]12CC[C@@H]3[C@H]4CC=C(O[Si](C)(C)C)C=C4CC[C@H]3[C@@H]1[C@@H](O[C@@H]1O[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]1O)C=C2O[Si](C)(C)C3659.3Semi standard non polar33892256
15-Hydroxynorandrostene-3,17-dione glucuronide,5TMS,isomer #3C[C@]12CC[C@@H]3[C@H]4CC=C(O[Si](C)(C)C)C=C4CC[C@H]3[C@@H]1[C@@H](O[C@@H]1O[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]1O)C=C2O[Si](C)(C)C3925.3Standard non polar33892256
15-Hydroxynorandrostene-3,17-dione glucuronide,5TMS,isomer #3C[C@]12CC[C@@H]3[C@H]4CC=C(O[Si](C)(C)C)C=C4CC[C@H]3[C@@H]1[C@@H](O[C@@H]1O[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]1O)C=C2O[Si](C)(C)C4464.9Standard polar33892256
15-Hydroxynorandrostene-3,17-dione glucuronide,5TMS,isomer #4C[C@]12CC[C@@H]3[C@H]4CC=C(O[Si](C)(C)C)C=C4CC[C@H]3[C@@H]1[C@@H](O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C)C=C2O[Si](C)(C)C3662.4Semi standard non polar33892256
15-Hydroxynorandrostene-3,17-dione glucuronide,5TMS,isomer #4C[C@]12CC[C@@H]3[C@H]4CC=C(O[Si](C)(C)C)C=C4CC[C@H]3[C@@H]1[C@@H](O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C)C=C2O[Si](C)(C)C3937.4Standard non polar33892256
15-Hydroxynorandrostene-3,17-dione glucuronide,5TMS,isomer #4C[C@]12CC[C@@H]3[C@H]4CC=C(O[Si](C)(C)C)C=C4CC[C@H]3[C@@H]1[C@@H](O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C)C=C2O[Si](C)(C)C4444.4Standard polar33892256
15-Hydroxynorandrostene-3,17-dione glucuronide,5TMS,isomer #5C[C@]12CC[C@@H]3[C@H]4CC=C(O[Si](C)(C)C)C=C4CC[C@H]3[C@@H]1[C@@H](O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)C=C2O[Si](C)(C)C3658.3Semi standard non polar33892256
15-Hydroxynorandrostene-3,17-dione glucuronide,5TMS,isomer #5C[C@]12CC[C@@H]3[C@H]4CC=C(O[Si](C)(C)C)C=C4CC[C@H]3[C@@H]1[C@@H](O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)C=C2O[Si](C)(C)C3914.0Standard non polar33892256
15-Hydroxynorandrostene-3,17-dione glucuronide,5TMS,isomer #5C[C@]12CC[C@@H]3[C@H]4CC=C(O[Si](C)(C)C)C=C4CC[C@H]3[C@@H]1[C@@H](O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)C=C2O[Si](C)(C)C4449.8Standard polar33892256
15-Hydroxynorandrostene-3,17-dione glucuronide,5TMS,isomer #6C[C@]12CC[C@@H]3[C@H]4CC=C(O[Si](C)(C)C)C=C4CC[C@H]3[C@@H]1[C@@H](O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)C=C2O[Si](C)(C)C3660.3Semi standard non polar33892256
15-Hydroxynorandrostene-3,17-dione glucuronide,5TMS,isomer #6C[C@]12CC[C@@H]3[C@H]4CC=C(O[Si](C)(C)C)C=C4CC[C@H]3[C@@H]1[C@@H](O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)C=C2O[Si](C)(C)C3924.1Standard non polar33892256
15-Hydroxynorandrostene-3,17-dione glucuronide,5TMS,isomer #6C[C@]12CC[C@@H]3[C@H]4CC=C(O[Si](C)(C)C)C=C4CC[C@H]3[C@@H]1[C@@H](O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)C=C2O[Si](C)(C)C4458.0Standard polar33892256
15-Hydroxynorandrostene-3,17-dione glucuronide,6TMS,isomer #1C[C@]12CC[C@@H]3[C@H]4CC=C(O[Si](C)(C)C)C=C4CC[C@H]3[C@@H]1[C@@H](O[C@@H]1O[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]1O[Si](C)(C)C)C=C2O[Si](C)(C)C3641.7Semi standard non polar33892256
15-Hydroxynorandrostene-3,17-dione glucuronide,6TMS,isomer #1C[C@]12CC[C@@H]3[C@H]4CC=C(O[Si](C)(C)C)C=C4CC[C@H]3[C@@H]1[C@@H](O[C@@H]1O[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]1O[Si](C)(C)C)C=C2O[Si](C)(C)C3992.9Standard non polar33892256
15-Hydroxynorandrostene-3,17-dione glucuronide,6TMS,isomer #1C[C@]12CC[C@@H]3[C@H]4CC=C(O[Si](C)(C)C)C=C4CC[C@H]3[C@@H]1[C@@H](O[C@@H]1O[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]1O[Si](C)(C)C)C=C2O[Si](C)(C)C4242.7Standard polar33892256
15-Hydroxynorandrostene-3,17-dione glucuronide,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](O[C@H]2CC(=O)[C@@]3(C)CC[C@@H]4[C@H]5CCC(=O)C=C5CC[C@H]4[C@H]23)[C@H](O)[C@H]1O4209.0Semi standard non polar33892256
15-Hydroxynorandrostene-3,17-dione glucuronide,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](C(=O)O)O[C@@H](O[C@H]2CC(=O)[C@@]3(C)CC[C@@H]4[C@H]5CCC(=O)C=C5CC[C@H]4[C@H]23)[C@@H]1O4232.1Semi standard non polar33892256
15-Hydroxynorandrostene-3,17-dione glucuronide,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](C(=O)O)O[C@H]1O[C@H]1CC(=O)[C@@]2(C)CC[C@@H]3[C@H]4CCC(=O)C=C4CC[C@H]3[C@H]124216.7Semi standard non polar33892256
15-Hydroxynorandrostene-3,17-dione glucuronide,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@H]2CC(=O)[C@@]3(C)CC[C@@H]4[C@H]5CCC(=O)C=C5CC[C@H]4[C@H]23)[C@H](O)[C@@H](O)[C@@H]1O4197.5Semi standard non polar33892256
15-Hydroxynorandrostene-3,17-dione glucuronide,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC1=C[C@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C4102.0Semi standard non polar33892256
15-Hydroxynorandrostene-3,17-dione glucuronide,1TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC1=CC[C@H]2C(=C1)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)C[C@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]124144.3Semi standard non polar33892256
15-Hydroxynorandrostene-3,17-dione glucuronide,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@H]2CC(=O)[C@@]3(C)CC[C@@H]4[C@H]5CCC(=O)C=C5CC[C@H]4[C@H]23)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C4392.6Semi standard non polar33892256
15-Hydroxynorandrostene-3,17-dione glucuronide,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@H]2CC(=O)[C@@]3(C)CC[C@@H]4[C@H]5CCC(=O)C=C5CC[C@H]4[C@H]23)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O4386.7Semi standard non polar33892256
15-Hydroxynorandrostene-3,17-dione glucuronide,2TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC1=C[C@H](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@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C4279.4Semi standard non polar33892256
15-Hydroxynorandrostene-3,17-dione glucuronide,2TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC1=CC[C@H]2C(=C1)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)C[C@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)[C@@H]124314.5Semi standard non polar33892256
15-Hydroxynorandrostene-3,17-dione glucuronide,2TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@H]2C=C(O[Si](C)(C)C(C)(C)C)[C@@]3(C)CC[C@@H]4[C@H]5CCC(=O)C=C5CC[C@H]4[C@H]23)[C@H](O)[C@@H](O)[C@@H]1O4255.1Semi standard non polar33892256
15-Hydroxynorandrostene-3,17-dione glucuronide,2TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@H]2CC(=O)[C@@]3(C)CC[C@@H]4[C@H]5CC=C(O[Si](C)(C)C(C)(C)C)C=C5CC[C@H]4[C@H]23)[C@H](O)[C@@H](O)[C@@H]1O4285.5Semi standard non polar33892256
15-Hydroxynorandrostene-3,17-dione glucuronide,2TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC1=CC[C@H]2C(=C1)CC[C@@H]1[C@@H]2CC[C@]2(C)C(O[Si](C)(C)C(C)(C)C)=C[C@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]124233.2Semi standard non polar33892256
15-Hydroxynorandrostene-3,17-dione glucuronide,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](O[C@H]2CC(=O)[C@@]3(C)CC[C@@H]4[C@H]5CCC(=O)C=C5CC[C@H]4[C@H]23)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O4374.2Semi standard non polar33892256
15-Hydroxynorandrostene-3,17-dione glucuronide,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H](O[C@H]2CC(=O)[C@@]3(C)CC[C@@H]4[C@H]5CCC(=O)C=C5CC[C@H]4[C@H]23)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C4374.6Semi standard non polar33892256
15-Hydroxynorandrostene-3,17-dione glucuronide,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1=C[C@H](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@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C4273.7Semi standard non polar33892256
15-Hydroxynorandrostene-3,17-dione glucuronide,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC1=CC[C@H]2C(=C1)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)C[C@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]3O)[C@@H]124310.9Semi standard non polar33892256
15-Hydroxynorandrostene-3,17-dione glucuronide,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@H]2CC(=O)[C@@]3(C)CC[C@@H]4[C@H]5CCC(=O)C=C5CC[C@H]4[C@H]23)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O4392.9Semi standard non polar33892256
15-Hydroxynorandrostene-3,17-dione glucuronide,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](C(=O)O)O[C@@H](O[C@H]2CC(=O)[C@@]3(C)CC[C@@H]4[C@H]5CCC(=O)C=C5CC[C@H]4[C@H]23)[C@@H]1O[Si](C)(C)C(C)(C)C4369.7Semi standard non polar33892256
15-Hydroxynorandrostene-3,17-dione glucuronide,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC1=C[C@H](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@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C4288.5Semi standard non polar33892256
15-Hydroxynorandrostene-3,17-dione glucuronide,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC1=CC[C@H]2C(=C1)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)C[C@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)[C@@H]124320.6Semi standard non polar33892256
15-Hydroxynorandrostene-3,17-dione glucuronide,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@H]2CC(=O)[C@@]3(C)CC[C@@H]4[C@H]5CCC(=O)C=C5CC[C@H]4[C@H]23)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C4578.7Semi standard non polar33892256
15-Hydroxynorandrostene-3,17-dione glucuronide,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC1=CC[C@H]2C(=C1)CC[C@@H]1[C@@H]2CC[C@]2(C)C(O[Si](C)(C)C(C)(C)C)=C[C@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]3O)[C@@H]124394.3Semi standard non polar33892256
15-Hydroxynorandrostene-3,17-dione glucuronide,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@H]2CC(=O)[C@@]3(C)CC[C@@H]4[C@H]5CCC(=O)C=C5CC[C@H]4[C@H]23)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O4582.2Semi standard non polar33892256
15-Hydroxynorandrostene-3,17-dione glucuronide,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@H]2C=C(O[Si](C)(C)C(C)(C)C)[C@@]3(C)CC[C@@H]4[C@H]5CCC(=O)C=C5CC[C@H]4[C@H]23)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O4461.8Semi standard non polar33892256
15-Hydroxynorandrostene-3,17-dione glucuronide,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@H]2CC(=O)[C@@]3(C)CC[C@@H]4[C@H]5CC=C(O[Si](C)(C)C(C)(C)C)C=C5CC[C@H]4[C@H]23)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O4494.4Semi standard non polar33892256
15-Hydroxynorandrostene-3,17-dione glucuronide,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC1=C[C@H](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@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C4465.4Semi standard non polar33892256
15-Hydroxynorandrostene-3,17-dione glucuronide,3TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC1=CC[C@H]2C(=C1)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)C[C@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O[Si](C)(C)C(C)(C)C)[C@@H]124499.4Semi standard non polar33892256
15-Hydroxynorandrostene-3,17-dione glucuronide,3TBDMS,isomer #16CC(C)(C)[Si](C)(C)OC1=CC[C@H]2C(=C1)CC[C@@H]1[C@@H]2CC[C@]2(C)C(O[Si](C)(C)C(C)(C)C)=C[C@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)[C@@H]124403.3Semi standard non polar33892256
15-Hydroxynorandrostene-3,17-dione glucuronide,3TBDMS,isomer #17CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@H]2C=C(O[Si](C)(C)C(C)(C)C)[C@@]3(C)CC[C@@H]4[C@H]5CCC(=O)C=C5CC[C@H]4[C@H]23)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O4460.8Semi standard non polar33892256
15-Hydroxynorandrostene-3,17-dione glucuronide,3TBDMS,isomer #18CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@H]2CC(=O)[C@@]3(C)CC[C@@H]4[C@H]5CC=C(O[Si](C)(C)C(C)(C)C)C=C5CC[C@H]4[C@H]23)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O4491.2Semi standard non polar33892256
15-Hydroxynorandrostene-3,17-dione glucuronide,3TBDMS,isomer #19CC(C)(C)[Si](C)(C)OC1=CC[C@H]2C(=C1)CC[C@@H]1[C@@H]2CC[C@]2(C)C(O[Si](C)(C)C(C)(C)C)=C[C@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)[C@@H]124403.8Semi standard non polar33892256
15-Hydroxynorandrostene-3,17-dione glucuronide,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@H]2CC(=O)[C@@]3(C)CC[C@@H]4[C@H]5CCC(=O)C=C5CC[C@H]4[C@H]23)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C4585.5Semi standard non polar33892256
15-Hydroxynorandrostene-3,17-dione glucuronide,3TBDMS,isomer #20CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@H]2C=C(O[Si](C)(C)C(C)(C)C)[C@@]3(C)CC[C@@H]4[C@H]5CC=C(O[Si](C)(C)C(C)(C)C)C=C5CC[C@H]4[C@H]23)[C@H](O)[C@@H](O)[C@@H]1O4377.0Semi standard non polar33892256
15-Hydroxynorandrostene-3,17-dione glucuronide,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@H]2C=C(O[Si](C)(C)C(C)(C)C)[C@@]3(C)CC[C@@H]4[C@H]5CCC(=O)C=C5CC[C@H]4[C@H]23)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C4457.8Semi standard non polar33892256
15-Hydroxynorandrostene-3,17-dione glucuronide,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H](O[C@H]2CC(=O)[C@@]3(C)CC[C@@H]4[C@H]5CC=C(O[Si](C)(C)C(C)(C)C)C=C5CC[C@H]4[C@H]23)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C4487.1Semi standard non polar33892256
15-Hydroxynorandrostene-3,17-dione glucuronide,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C(=O)O)O[C@@H](O[C@H]2CC(=O)[C@@]3(C)CC[C@@H]4[C@H]5CCC(=O)C=C5CC[C@H]4[C@H]23)[C@@H]1O[Si](C)(C)C(C)(C)C4577.3Semi standard non polar33892256
15-Hydroxynorandrostene-3,17-dione glucuronide,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC1=C[C@H](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@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C4472.7Semi standard non polar33892256
15-Hydroxynorandrostene-3,17-dione glucuronide,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC1=CC[C@H]2C(=C1)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)C[C@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)[C@@H]124510.8Semi standard non polar33892256
15-Hydroxynorandrostene-3,17-dione glucuronide,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC1=C[C@H](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@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C4467.4Semi standard non polar33892256
15-Hydroxynorandrostene-3,17-dione glucuronide,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC1=CC[C@H]2C(=C1)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)C[C@H](O[C@@H]3O[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]3O)[C@@H]124502.6Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - 15-Hydroxynorandrostene-3,17-dione glucuronide GC-MS (Non-derivatized) - 70eV, Positivesplash10-00tk-8764900000-9d1700547e803a7661962017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 15-Hydroxynorandrostene-3,17-dione glucuronide GC-MS (3 TMS) - 70eV, Positivesplash10-014i-5350149000-63cc24f16a329c89582d2017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 15-Hydroxynorandrostene-3,17-dione glucuronide GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 15-Hydroxynorandrostene-3,17-dione glucuronide 10V, Positive-QTOFsplash10-00rj-0090600000-68af45cf152f42f52e732016-06-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 15-Hydroxynorandrostene-3,17-dione glucuronide 20V, Positive-QTOFsplash10-0079-0190000000-16118d41aa69e2a211a02016-06-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 15-Hydroxynorandrostene-3,17-dione glucuronide 40V, Positive-QTOFsplash10-0300-0590000000-3c155876f3cb4e0de9472016-06-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 15-Hydroxynorandrostene-3,17-dione glucuronide 10V, Negative-QTOFsplash10-03y0-1270900000-01440b9d0a4899b117a02016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 15-Hydroxynorandrostene-3,17-dione glucuronide 20V, Negative-QTOFsplash10-000i-1290200000-bc00e5c7bd83641c77372016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 15-Hydroxynorandrostene-3,17-dione glucuronide 40V, Negative-QTOFsplash10-000i-3190000000-d4f1dc5c1a6ba1ab7a4e2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 15-Hydroxynorandrostene-3,17-dione glucuronide 10V, Positive-QTOFsplash10-014r-0090700000-2e9881d7bce29dee4b162021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 15-Hydroxynorandrostene-3,17-dione glucuronide 20V, Positive-QTOFsplash10-0fk9-0190200000-5eb78c538721a97f31e22021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 15-Hydroxynorandrostene-3,17-dione glucuronide 40V, Positive-QTOFsplash10-0udi-1980000000-cd6045526e31408ebdb42021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 15-Hydroxynorandrostene-3,17-dione glucuronide 10V, Negative-QTOFsplash10-03di-0000900000-b259ffe2ee171d421ade2021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 15-Hydroxynorandrostene-3,17-dione glucuronide 20V, Negative-QTOFsplash10-076s-9860600000-6784fdaa7984715082112021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 15-Hydroxynorandrostene-3,17-dione glucuronide 40V, Negative-QTOFsplash10-0670-4391000000-7e12b7eac4ee22c5327f2021-09-25Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
  • Membrane
Biospecimen Locations
  • Blood
  • Urine
Tissue Locations
  • Kidney
  • Liver
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableNormal
      Not Available
details
UrineExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableNormal
      Not Available
details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB027505
KNApSAcK IDNot Available
Chemspider ID24850124
KEGG Compound IDC03033
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound44263360
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 ReferencesNot Available

Only showing the first 10 proteins. There are 19 proteins in total.

Enzymes

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
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
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
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:
UGT2B10
Uniprot ID:
P36537
Molecular weight:
60773.485
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
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
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
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
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
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

Only showing the first 10 proteins. There are 19 proteins in total.