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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2013-07-09 16:07:56 UTC
Update Date2021-09-14 15:19:57 UTC
HMDB IDHMDB0060930
Secondary Accession Numbers
  • HMDB60930
Metabolite Identification
Common NameHydromorphone 3-beta-O-glucuronide
DescriptionHydromorphone 3-beta-O-glucuronide is a metabolite of hydromorphone. Hydromorphone, a more common synonym for dihydromorphinone, commonly a hydrochloride (brand names Palladone, Dilaudid, and numerous others) is a very potent centrally acting analgesic drug of the opioid class. It is a derivative of morphine, to be specific, a hydrogenated ketone thereof and, therefore, a semi-synthetic drug. It is, in medical terms, an opioid analgesic and, in legal terms, a narcotic. (Wikipedia)
Structure
Data?1563866124
Synonyms
ValueSource
Citrate, sildenafilHMDB
Desmethyl sildenafilHMDB
Sildenafil lactateHMDB
1-((3-(6,7-Dihydro-1-methyl-7-oxo-3-propyl-1H-pyrazolo(4,3-D)pyrimidin-5-yl)-4-ethoxyphenyl)sulfonyl)-4-methylpiperazine citrateHMDB
Lactate, sildenafilHMDB
NCX-911HMDB
Nitrate, sildenafilHMDB
RevatioHMDB
ViagraHMDB
AcetildenafilHMDB
Sildenafil citrateHMDB
Sildenafil, desmethylHMDB
HydroxyhomosildenafilHMDB
NCX 911HMDB
HomosildenafilHMDB
SildenafilHMDB
Sildenafil nitrateHMDB
Hydromorphone 3-b-O-glucuronideGenerator
Hydromorphone 3-β-O-glucuronideGenerator
Chemical FormulaC23H27NO9
Average Molecular Weight461.4618
Monoisotopic Molecular Weight461.168581467
IUPAC Name(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-{[(1R,5S,13S,17S)-4-methyl-14-oxo-12-oxa-4-azapentacyclo[9.6.1.0¹,¹³.0⁵,¹⁷.0⁷,¹⁸]octadeca-7(18),8,10-trien-10-yl]oxy}oxane-2-carboxylic acid
Traditional Name(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-{[(1R,5S,13S,17S)-4-methyl-14-oxo-12-oxa-4-azapentacyclo[9.6.1.0¹,¹³.0⁵,¹⁷.0⁷,¹⁸]octadeca-7(18),8,10-trien-10-yl]oxy}oxane-2-carboxylic acid
CAS Registry NumberNot Available
SMILES
[H][C@]12CC3=C4C(O[C@@H]5C(=O)CC[C@H]1[C@]45CCN2C)=C(O[C@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)C=C3
InChI Identifier
InChI=1S/C23H27NO9/c1-24-7-6-23-10-3-4-12(25)20(23)32-18-13(5-2-9(14(18)23)8-11(10)24)31-22-17(28)15(26)16(27)19(33-22)21(29)30/h2,5,10-11,15-17,19-20,22,26-28H,3-4,6-8H2,1H3,(H,29,30)/t10-,11+,15+,16+,17-,19+,20-,22+,23-/m1/s1
InChI KeyVLSHIBYUEOPPRX-BITROGNRSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.
KingdomOrganic compounds
Super ClassBenzenoids
ClassBenzene and substituted derivatives
Sub ClassBenzenesulfonamides
Direct ParentBenzenesulfonamides
Alternative Parents
Substituents
  • Benzenesulfonamide
  • Pyrazolopyrimidine
  • Benzenesulfonyl group
  • Phenoxy compound
  • Phenol ether
  • Alkyl aryl ether
  • Pyrimidone
  • Pyrimidine
  • 1,4-diazinane
  • Organosulfonic acid amide
  • Piperazine
  • Sulfonyl
  • Azole
  • Organosulfonic acid or derivatives
  • Vinylogous amide
  • Pyrazole
  • Organic sulfonic acid or derivatives
  • Heteroaromatic compound
  • Secondary aliphatic amine
  • Ether
  • Azacycle
  • Organoheterocyclic compound
  • Secondary amine
  • Organooxygen compound
  • Organonitrogen compound
  • Amine
  • Organic oxide
  • Organic nitrogen compound
  • Organosulfur compound
  • Hydrocarbon derivative
  • Organic oxygen compound
  • Organopnictogen compound
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
RoleNot Available
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility10.5 g/LALOGPS
logP-0.28ALOGPS
logP-2.9ChemAxon
logS-1.6ALOGPS
pKa (Strongest Acidic)2.68ChemAxon
pKa (Strongest Basic)8.59ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count10ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area145.99 ŲChemAxon
Rotatable Bond Count3ChemAxon
Refractivity110.27 m³·mol⁻¹ChemAxon
Polarizability45.69 ųChemAxon
Number of Rings6ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+204.6331661259
DarkChem[M-H]-199.32331661259
DeepCCS[M-2H]-240.19530932474
DeepCCS[M+Na]+214.35430932474
AllCCS[M+H]+206.232859911
AllCCS[M+H-H2O]+204.332859911
AllCCS[M+NH4]+207.932859911
AllCCS[M+Na]+208.432859911
AllCCS[M-H]-200.932859911
AllCCS[M+Na-2H]-201.432859911
AllCCS[M+HCOO]-202.032859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Hydromorphone 3-beta-O-glucuronide[H][C@]12CC3=C4C(O[C@@H]5C(=O)CC[C@H]1[C@]45CCN2C)=C(O[C@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)C=C34117.2Standard polar33892256
Hydromorphone 3-beta-O-glucuronide[H][C@]12CC3=C4C(O[C@@H]5C(=O)CC[C@H]1[C@]45CCN2C)=C(O[C@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)C=C33541.2Standard non polar33892256
Hydromorphone 3-beta-O-glucuronide[H][C@]12CC3=C4C(O[C@@H]5C(=O)CC[C@H]1[C@]45CCN2C)=C(O[C@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)C=C33943.4Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Hydromorphone 3-beta-O-glucuronide,1TMS,isomer #1CN1CC[C@@]23C4=C5C=CC(O[C@H]6O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]6O)=C4O[C@@H]2C(=O)CC[C@@H]3[C@@H]1C53731.5Semi standard non polar33892256
Hydromorphone 3-beta-O-glucuronide,1TMS,isomer #2CN1CC[C@@]23C4=C5C=CC(O[C@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]6O)=C4O[C@@H]2C(=O)CC[C@@H]3[C@@H]1C53759.6Semi standard non polar33892256
Hydromorphone 3-beta-O-glucuronide,1TMS,isomer #3CN1CC[C@@]23C4=C5C=CC(O[C@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]6O[Si](C)(C)C)=C4O[C@@H]2C(=O)CC[C@@H]3[C@@H]1C53735.7Semi standard non polar33892256
Hydromorphone 3-beta-O-glucuronide,1TMS,isomer #4CN1CC[C@@]23C4=C5C=CC(O[C@H]6O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]6O)=C4O[C@@H]2C(=O)CC[C@@H]3[C@@H]1C53696.1Semi standard non polar33892256
Hydromorphone 3-beta-O-glucuronide,1TMS,isomer #5CN1CC[C@@]23C4=C(O[Si](C)(C)C)CC[C@@H]2[C@@H]1CC1=CC=C(O[C@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)C(=C13)O43732.8Semi standard non polar33892256
Hydromorphone 3-beta-O-glucuronide,1TMS,isomer #6CN1CC[C@@]23C4=C5C=CC(O[C@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]6O)=C4O[C@@H]2C(O[Si](C)(C)C)=CC[C@@H]3[C@@H]1C53701.5Semi standard non polar33892256
Hydromorphone 3-beta-O-glucuronide,2TMS,isomer #1CN1CC[C@@]23C4=C5C=CC(O[C@H]6O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]6O)=C4O[C@@H]2C(=O)CC[C@@H]3[C@@H]1C53695.4Semi standard non polar33892256
Hydromorphone 3-beta-O-glucuronide,2TMS,isomer #10CN1CC[C@@]23C4=C5C=CC(O[C@H]6O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]6O[Si](C)(C)C)=C4O[C@@H]2C(=O)CC[C@@H]3[C@@H]1C53691.1Semi standard non polar33892256
Hydromorphone 3-beta-O-glucuronide,2TMS,isomer #11CN1CC[C@@]23C4=C(O[Si](C)(C)C)CC[C@@H]2[C@@H]1CC1=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(=C13)O43688.8Semi standard non polar33892256
Hydromorphone 3-beta-O-glucuronide,2TMS,isomer #12CN1CC[C@@]23C4=C5C=CC(O[C@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]6O[Si](C)(C)C)=C4O[C@@H]2C(O[Si](C)(C)C)=CC[C@@H]3[C@@H]1C53669.3Semi standard non polar33892256
Hydromorphone 3-beta-O-glucuronide,2TMS,isomer #13CN1CC[C@@]23C4=C(O[Si](C)(C)C)CC[C@@H]2[C@@H]1CC1=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(=C13)O43656.4Semi standard non polar33892256
Hydromorphone 3-beta-O-glucuronide,2TMS,isomer #14CN1CC[C@@]23C4=C5C=CC(O[C@H]6O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]6O)=C4O[C@@H]2C(O[Si](C)(C)C)=CC[C@@H]3[C@@H]1C53626.2Semi standard non polar33892256
Hydromorphone 3-beta-O-glucuronide,2TMS,isomer #2CN1CC[C@@]23C4=C5C=CC(O[C@H]6O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]6O)=C4O[C@@H]2C(=O)CC[C@@H]3[C@@H]1C53717.8Semi standard non polar33892256
Hydromorphone 3-beta-O-glucuronide,2TMS,isomer #3CN1CC[C@@]23C4=C5C=CC(O[C@H]6O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]6O[Si](C)(C)C)=C4O[C@@H]2C(=O)CC[C@@H]3[C@@H]1C53723.3Semi standard non polar33892256
Hydromorphone 3-beta-O-glucuronide,2TMS,isomer #4CN1CC[C@@]23C4=C(O[Si](C)(C)C)CC[C@@H]2[C@@H]1CC1=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(=C13)O43683.7Semi standard non polar33892256
Hydromorphone 3-beta-O-glucuronide,2TMS,isomer #5CN1CC[C@@]23C4=C5C=CC(O[C@H]6O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]6O)=C4O[C@@H]2C(O[Si](C)(C)C)=CC[C@@H]3[C@@H]1C53666.4Semi standard non polar33892256
Hydromorphone 3-beta-O-glucuronide,2TMS,isomer #6CN1CC[C@@]23C4=C5C=CC(O[C@H]6O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]6O)=C4O[C@@H]2C(=O)CC[C@@H]3[C@@H]1C53700.1Semi standard non polar33892256
Hydromorphone 3-beta-O-glucuronide,2TMS,isomer #7CN1CC[C@@]23C4=C5C=CC(O[C@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]6O[Si](C)(C)C)=C4O[C@@H]2C(=O)CC[C@@H]3[C@@H]1C53719.4Semi standard non polar33892256
Hydromorphone 3-beta-O-glucuronide,2TMS,isomer #8CN1CC[C@@]23C4=C(O[Si](C)(C)C)CC[C@@H]2[C@@H]1CC1=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(=C13)O43695.3Semi standard non polar33892256
Hydromorphone 3-beta-O-glucuronide,2TMS,isomer #9CN1CC[C@@]23C4=C5C=CC(O[C@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]6O)=C4O[C@@H]2C(O[Si](C)(C)C)=CC[C@@H]3[C@@H]1C53669.3Semi standard non polar33892256
Hydromorphone 3-beta-O-glucuronide,3TMS,isomer #1CN1CC[C@@]23C4=C5C=CC(O[C@H]6O[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]6O)=C4O[C@@H]2C(=O)CC[C@@H]3[C@@H]1C53702.4Semi standard non polar33892256
Hydromorphone 3-beta-O-glucuronide,3TMS,isomer #10CN1CC[C@@]23C4=C5C=CC(O[C@H]6O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]6O[Si](C)(C)C)=C4O[C@@H]2C(=O)CC[C@@H]3[C@@H]1C53694.7Semi standard non polar33892256
Hydromorphone 3-beta-O-glucuronide,3TMS,isomer #11CN1CC[C@@]23C4=C(O[Si](C)(C)C)CC[C@@H]2[C@@H]1CC1=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(=C13)O43670.2Semi standard non polar33892256
Hydromorphone 3-beta-O-glucuronide,3TMS,isomer #12CN1CC[C@@]23C4=C5C=CC(O[C@H]6O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]6O)=C4O[C@@H]2C(O[Si](C)(C)C)=CC[C@@H]3[C@@H]1C53651.1Semi standard non polar33892256
Hydromorphone 3-beta-O-glucuronide,3TMS,isomer #13CN1CC[C@@]23C4=C(O[Si](C)(C)C)CC[C@@H]2[C@@H]1CC1=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(=C13)O43684.1Semi standard non polar33892256
Hydromorphone 3-beta-O-glucuronide,3TMS,isomer #14CN1CC[C@@]23C4=C5C=CC(O[C@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]6O[Si](C)(C)C)=C4O[C@@H]2C(O[Si](C)(C)C)=CC[C@@H]3[C@@H]1C53670.7Semi standard non polar33892256
Hydromorphone 3-beta-O-glucuronide,3TMS,isomer #15CN1CC[C@@]23C4=C(O[Si](C)(C)C)CC[C@@H]2[C@@H]1CC1=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(=C13)O43668.2Semi standard non polar33892256
Hydromorphone 3-beta-O-glucuronide,3TMS,isomer #16CN1CC[C@@]23C4=C5C=CC(O[C@H]6O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]6O[Si](C)(C)C)=C4O[C@@H]2C(O[Si](C)(C)C)=CC[C@@H]3[C@@H]1C53654.8Semi standard non polar33892256
Hydromorphone 3-beta-O-glucuronide,3TMS,isomer #2CN1CC[C@@]23C4=C5C=CC(O[C@H]6O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]6O[Si](C)(C)C)=C4O[C@@H]2C(=O)CC[C@@H]3[C@@H]1C53708.7Semi standard non polar33892256
Hydromorphone 3-beta-O-glucuronide,3TMS,isomer #3CN1CC[C@@]23C4=C(O[Si](C)(C)C)CC[C@@H]2[C@@H]1CC1=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(=C13)O43673.2Semi standard non polar33892256
Hydromorphone 3-beta-O-glucuronide,3TMS,isomer #4CN1CC[C@@]23C4=C5C=CC(O[C@H]6O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]6O)=C4O[C@@H]2C(O[Si](C)(C)C)=CC[C@@H]3[C@@H]1C53662.5Semi standard non polar33892256
Hydromorphone 3-beta-O-glucuronide,3TMS,isomer #5CN1CC[C@@]23C4=C5C=CC(O[C@H]6O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]6O[Si](C)(C)C)=C4O[C@@H]2C(=O)CC[C@@H]3[C@@H]1C53724.5Semi standard non polar33892256
Hydromorphone 3-beta-O-glucuronide,3TMS,isomer #6CN1CC[C@@]23C4=C(O[Si](C)(C)C)CC[C@@H]2[C@@H]1CC1=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(=C13)O43687.6Semi standard non polar33892256
Hydromorphone 3-beta-O-glucuronide,3TMS,isomer #7CN1CC[C@@]23C4=C5C=CC(O[C@H]6O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]6O)=C4O[C@@H]2C(O[Si](C)(C)C)=CC[C@@H]3[C@@H]1C53674.9Semi standard non polar33892256
Hydromorphone 3-beta-O-glucuronide,3TMS,isomer #8CN1CC[C@@]23C4=C(O[Si](C)(C)C)CC[C@@H]2[C@@H]1CC1=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(=C13)O43691.7Semi standard non polar33892256
Hydromorphone 3-beta-O-glucuronide,3TMS,isomer #9CN1CC[C@@]23C4=C5C=CC(O[C@H]6O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]6O[Si](C)(C)C)=C4O[C@@H]2C(O[Si](C)(C)C)=CC[C@@H]3[C@@H]1C53681.0Semi standard non polar33892256
Hydromorphone 3-beta-O-glucuronide,4TMS,isomer #1CN1CC[C@@]23C4=C5C=CC(O[C@H]6O[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]6O[Si](C)(C)C)=C4O[C@@H]2C(=O)CC[C@@H]3[C@@H]1C53715.0Semi standard non polar33892256
Hydromorphone 3-beta-O-glucuronide,4TMS,isomer #2CN1CC[C@@]23C4=C(O[Si](C)(C)C)CC[C@@H]2[C@@H]1CC1=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(=C13)O43680.5Semi standard non polar33892256
Hydromorphone 3-beta-O-glucuronide,4TMS,isomer #3CN1CC[C@@]23C4=C5C=CC(O[C@H]6O[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]6O)=C4O[C@@H]2C(O[Si](C)(C)C)=CC[C@@H]3[C@@H]1C53673.9Semi standard non polar33892256
Hydromorphone 3-beta-O-glucuronide,4TMS,isomer #4CN1CC[C@@]23C4=C(O[Si](C)(C)C)CC[C@@H]2[C@@H]1CC1=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(=C13)O43685.8Semi standard non polar33892256
Hydromorphone 3-beta-O-glucuronide,4TMS,isomer #5CN1CC[C@@]23C4=C5C=CC(O[C@H]6O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]6O[Si](C)(C)C)=C4O[C@@H]2C(O[Si](C)(C)C)=CC[C@@H]3[C@@H]1C53682.0Semi standard non polar33892256
Hydromorphone 3-beta-O-glucuronide,4TMS,isomer #6CN1CC[C@@]23C4=C(O[Si](C)(C)C)CC[C@@H]2[C@@H]1CC1=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(=C13)O43690.3Semi standard non polar33892256
Hydromorphone 3-beta-O-glucuronide,4TMS,isomer #7CN1CC[C@@]23C4=C5C=CC(O[C@H]6O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]6O[Si](C)(C)C)=C4O[C@@H]2C(O[Si](C)(C)C)=CC[C@@H]3[C@@H]1C53680.5Semi standard non polar33892256
Hydromorphone 3-beta-O-glucuronide,4TMS,isomer #8CN1CC[C@@]23C4=C(O[Si](C)(C)C)CC[C@@H]2[C@@H]1CC1=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(=C13)O43675.6Semi standard non polar33892256
Hydromorphone 3-beta-O-glucuronide,4TMS,isomer #9CN1CC[C@@]23C4=C5C=CC(O[C@H]6O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]6O[Si](C)(C)C)=C4O[C@@H]2C(O[Si](C)(C)C)=CC[C@@H]3[C@@H]1C53666.8Semi standard non polar33892256
Hydromorphone 3-beta-O-glucuronide,5TMS,isomer #1CN1CC[C@@]23C4=C(O[Si](C)(C)C)CC[C@@H]2[C@@H]1CC1=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(=C13)O43701.4Semi standard non polar33892256
Hydromorphone 3-beta-O-glucuronide,5TMS,isomer #1CN1CC[C@@]23C4=C(O[Si](C)(C)C)CC[C@@H]2[C@@H]1CC1=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(=C13)O43818.4Standard non polar33892256
Hydromorphone 3-beta-O-glucuronide,5TMS,isomer #1CN1CC[C@@]23C4=C(O[Si](C)(C)C)CC[C@@H]2[C@@H]1CC1=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(=C13)O44242.6Standard polar33892256
Hydromorphone 3-beta-O-glucuronide,5TMS,isomer #2CN1CC[C@@]23C4=C5C=CC(O[C@H]6O[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]6O[Si](C)(C)C)=C4O[C@@H]2C(O[Si](C)(C)C)=CC[C@@H]3[C@@H]1C53697.0Semi standard non polar33892256
Hydromorphone 3-beta-O-glucuronide,5TMS,isomer #2CN1CC[C@@]23C4=C5C=CC(O[C@H]6O[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]6O[Si](C)(C)C)=C4O[C@@H]2C(O[Si](C)(C)C)=CC[C@@H]3[C@@H]1C53762.9Standard non polar33892256
Hydromorphone 3-beta-O-glucuronide,5TMS,isomer #2CN1CC[C@@]23C4=C5C=CC(O[C@H]6O[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]6O[Si](C)(C)C)=C4O[C@@H]2C(O[Si](C)(C)C)=CC[C@@H]3[C@@H]1C54209.8Standard polar33892256
Hydromorphone 3-beta-O-glucuronide,1TBDMS,isomer #1CN1CC[C@@]23C4=C5C=CC(O[C@H]6O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]6O)=C4O[C@@H]2C(=O)CC[C@@H]3[C@@H]1C53961.4Semi standard non polar33892256
Hydromorphone 3-beta-O-glucuronide,1TBDMS,isomer #2CN1CC[C@@]23C4=C5C=CC(O[C@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]6O)=C4O[C@@H]2C(=O)CC[C@@H]3[C@@H]1C53987.1Semi standard non polar33892256
Hydromorphone 3-beta-O-glucuronide,1TBDMS,isomer #3CN1CC[C@@]23C4=C5C=CC(O[C@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]6O[Si](C)(C)C(C)(C)C)=C4O[C@@H]2C(=O)CC[C@@H]3[C@@H]1C53972.6Semi standard non polar33892256
Hydromorphone 3-beta-O-glucuronide,1TBDMS,isomer #4CN1CC[C@@]23C4=C5C=CC(O[C@H]6O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]6O)=C4O[C@@H]2C(=O)CC[C@@H]3[C@@H]1C53949.7Semi standard non polar33892256
Hydromorphone 3-beta-O-glucuronide,1TBDMS,isomer #5CN1CC[C@@]23C4=C(O[Si](C)(C)C(C)(C)C)CC[C@@H]2[C@@H]1CC1=CC=C(O[C@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)C(=C13)O43978.9Semi standard non polar33892256
Hydromorphone 3-beta-O-glucuronide,1TBDMS,isomer #6CN1CC[C@@]23C4=C5C=CC(O[C@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]6O)=C4O[C@@H]2C(O[Si](C)(C)C(C)(C)C)=CC[C@@H]3[C@@H]1C53947.5Semi standard non polar33892256
Hydromorphone 3-beta-O-glucuronide,2TBDMS,isomer #1CN1CC[C@@]23C4=C5C=CC(O[C@H]6O[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]6O)=C4O[C@@H]2C(=O)CC[C@@H]3[C@@H]1C54141.8Semi standard non polar33892256
Hydromorphone 3-beta-O-glucuronide,2TBDMS,isomer #10CN1CC[C@@]23C4=C5C=CC(O[C@H]6O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]6O[Si](C)(C)C(C)(C)C)=C4O[C@@H]2C(=O)CC[C@@H]3[C@@H]1C54144.7Semi standard non polar33892256
Hydromorphone 3-beta-O-glucuronide,2TBDMS,isomer #11CN1CC[C@@]23C4=C(O[Si](C)(C)C(C)(C)C)CC[C@@H]2[C@@H]1CC1=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(=C13)O44158.5Semi standard non polar33892256
Hydromorphone 3-beta-O-glucuronide,2TBDMS,isomer #12CN1CC[C@@]23C4=C5C=CC(O[C@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]6O[Si](C)(C)C(C)(C)C)=C4O[C@@H]2C(O[Si](C)(C)C(C)(C)C)=CC[C@@H]3[C@@H]1C54137.7Semi standard non polar33892256
Hydromorphone 3-beta-O-glucuronide,2TBDMS,isomer #13CN1CC[C@@]23C4=C(O[Si](C)(C)C(C)(C)C)CC[C@@H]2[C@@H]1CC1=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(=C13)O44118.4Semi standard non polar33892256
Hydromorphone 3-beta-O-glucuronide,2TBDMS,isomer #14CN1CC[C@@]23C4=C5C=CC(O[C@H]6O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]6O)=C4O[C@@H]2C(O[Si](C)(C)C(C)(C)C)=CC[C@@H]3[C@@H]1C54083.2Semi standard non polar33892256
Hydromorphone 3-beta-O-glucuronide,2TBDMS,isomer #2CN1CC[C@@]23C4=C5C=CC(O[C@H]6O[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]6O)=C4O[C@@H]2C(=O)CC[C@@H]3[C@@H]1C54149.3Semi standard non polar33892256
Hydromorphone 3-beta-O-glucuronide,2TBDMS,isomer #3CN1CC[C@@]23C4=C5C=CC(O[C@H]6O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]6O[Si](C)(C)C(C)(C)C)=C4O[C@@H]2C(=O)CC[C@@H]3[C@@H]1C54152.9Semi standard non polar33892256
Hydromorphone 3-beta-O-glucuronide,2TBDMS,isomer #4CN1CC[C@@]23C4=C(O[Si](C)(C)C(C)(C)C)CC[C@@H]2[C@@H]1CC1=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(=C13)O44147.3Semi standard non polar33892256
Hydromorphone 3-beta-O-glucuronide,2TBDMS,isomer #5CN1CC[C@@]23C4=C5C=CC(O[C@H]6O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]6O)=C4O[C@@H]2C(O[Si](C)(C)C(C)(C)C)=CC[C@@H]3[C@@H]1C54127.5Semi standard non polar33892256
Hydromorphone 3-beta-O-glucuronide,2TBDMS,isomer #6CN1CC[C@@]23C4=C5C=CC(O[C@H]6O[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]6O)=C4O[C@@H]2C(=O)CC[C@@H]3[C@@H]1C54150.8Semi standard non polar33892256
Hydromorphone 3-beta-O-glucuronide,2TBDMS,isomer #7CN1CC[C@@]23C4=C5C=CC(O[C@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]6O[Si](C)(C)C(C)(C)C)=C4O[C@@H]2C(=O)CC[C@@H]3[C@@H]1C54152.5Semi standard non polar33892256
Hydromorphone 3-beta-O-glucuronide,2TBDMS,isomer #8CN1CC[C@@]23C4=C(O[Si](C)(C)C(C)(C)C)CC[C@@H]2[C@@H]1CC1=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(=C13)O44163.8Semi standard non polar33892256
Hydromorphone 3-beta-O-glucuronide,2TBDMS,isomer #9CN1CC[C@@]23C4=C5C=CC(O[C@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]6O)=C4O[C@@H]2C(O[Si](C)(C)C(C)(C)C)=CC[C@@H]3[C@@H]1C54140.0Semi standard non polar33892256
Hydromorphone 3-beta-O-glucuronide,3TBDMS,isomer #1CN1CC[C@@]23C4=C5C=CC(O[C@H]6O[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]6O)=C4O[C@@H]2C(=O)CC[C@@H]3[C@@H]1C54317.1Semi standard non polar33892256
Hydromorphone 3-beta-O-glucuronide,3TBDMS,isomer #10CN1CC[C@@]23C4=C5C=CC(O[C@H]6O[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]6O[Si](C)(C)C(C)(C)C)=C4O[C@@H]2C(=O)CC[C@@H]3[C@@H]1C54318.8Semi standard non polar33892256
Hydromorphone 3-beta-O-glucuronide,3TBDMS,isomer #11CN1CC[C@@]23C4=C(O[Si](C)(C)C(C)(C)C)CC[C@@H]2[C@@H]1CC1=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(=C13)O44296.4Semi standard non polar33892256
Hydromorphone 3-beta-O-glucuronide,3TBDMS,isomer #12CN1CC[C@@]23C4=C5C=CC(O[C@H]6O[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]6O)=C4O[C@@H]2C(O[Si](C)(C)C(C)(C)C)=CC[C@@H]3[C@@H]1C54294.8Semi standard non polar33892256
Hydromorphone 3-beta-O-glucuronide,3TBDMS,isomer #13CN1CC[C@@]23C4=C(O[Si](C)(C)C(C)(C)C)CC[C@@H]2[C@@H]1CC1=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(=C13)O44317.4Semi standard non polar33892256
Hydromorphone 3-beta-O-glucuronide,3TBDMS,isomer #14CN1CC[C@@]23C4=C5C=CC(O[C@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]6O[Si](C)(C)C(C)(C)C)=C4O[C@@H]2C(O[Si](C)(C)C(C)(C)C)=CC[C@@H]3[C@@H]1C54313.5Semi standard non polar33892256
Hydromorphone 3-beta-O-glucuronide,3TBDMS,isomer #15CN1CC[C@@]23C4=C(O[Si](C)(C)C(C)(C)C)CC[C@@H]2[C@@H]1CC1=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(=C13)O44311.8Semi standard non polar33892256
Hydromorphone 3-beta-O-glucuronide,3TBDMS,isomer #16CN1CC[C@@]23C4=C5C=CC(O[C@H]6O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]6O[Si](C)(C)C(C)(C)C)=C4O[C@@H]2C(O[Si](C)(C)C(C)(C)C)=CC[C@@H]3[C@@H]1C54306.9Semi standard non polar33892256
Hydromorphone 3-beta-O-glucuronide,3TBDMS,isomer #2CN1CC[C@@]23C4=C5C=CC(O[C@H]6O[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]6O[Si](C)(C)C(C)(C)C)=C4O[C@@H]2C(=O)CC[C@@H]3[C@@H]1C54323.0Semi standard non polar33892256
Hydromorphone 3-beta-O-glucuronide,3TBDMS,isomer #3CN1CC[C@@]23C4=C(O[Si](C)(C)C(C)(C)C)CC[C@@H]2[C@@H]1CC1=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(=C13)O44305.6Semi standard non polar33892256
Hydromorphone 3-beta-O-glucuronide,3TBDMS,isomer #4CN1CC[C@@]23C4=C5C=CC(O[C@H]6O[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]6O)=C4O[C@@H]2C(O[Si](C)(C)C(C)(C)C)=CC[C@@H]3[C@@H]1C54302.2Semi standard non polar33892256
Hydromorphone 3-beta-O-glucuronide,3TBDMS,isomer #5CN1CC[C@@]23C4=C5C=CC(O[C@H]6O[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]6O[Si](C)(C)C(C)(C)C)=C4O[C@@H]2C(=O)CC[C@@H]3[C@@H]1C54333.1Semi standard non polar33892256
Hydromorphone 3-beta-O-glucuronide,3TBDMS,isomer #6CN1CC[C@@]23C4=C(O[Si](C)(C)C(C)(C)C)CC[C@@H]2[C@@H]1CC1=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(=C13)O44313.8Semi standard non polar33892256
Hydromorphone 3-beta-O-glucuronide,3TBDMS,isomer #7CN1CC[C@@]23C4=C5C=CC(O[C@H]6O[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]6O)=C4O[C@@H]2C(O[Si](C)(C)C(C)(C)C)=CC[C@@H]3[C@@H]1C54310.0Semi standard non polar33892256
Hydromorphone 3-beta-O-glucuronide,3TBDMS,isomer #8CN1CC[C@@]23C4=C(O[Si](C)(C)C(C)(C)C)CC[C@@H]2[C@@H]1CC1=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(=C13)O44321.2Semi standard non polar33892256
Hydromorphone 3-beta-O-glucuronide,3TBDMS,isomer #9CN1CC[C@@]23C4=C5C=CC(O[C@H]6O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]6O[Si](C)(C)C(C)(C)C)=C4O[C@@H]2C(O[Si](C)(C)C(C)(C)C)=CC[C@@H]3[C@@H]1C54317.0Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Hydromorphone 3-beta-O-glucuronide GC-MS (Non-derivatized) - 70eV, Positivesplash10-052f-9116300000-a2830734c3ac61958ab92017-09-20Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Hydromorphone 3-beta-O-glucuronide GC-MS (3 TMS) - 70eV, Positivesplash10-03dr-7163049000-0df6755e790d8a6f5a4a2017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Hydromorphone 3-beta-O-glucuronide GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Hydromorphone 3-beta-O-glucuronide GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Hydromorphone 3-beta-O-glucuronide GC-MS (TBDMS_2_7) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Hydromorphone 3-beta-O-glucuronide GC-MS (TBDMS_3_5) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Hydromorphone 3-beta-O-glucuronide GC-MS (TBDMS_3_10) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Hydromorphone 3-beta-O-glucuronide GC-MS (TBDMS_3_13) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Hydromorphone 3-beta-O-glucuronide GC-MS (TBDMS_3_14) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Hydromorphone 3-beta-O-glucuronide GC-MS ("Hydromorphone 3-beta-O-glucuronide,2TBDMS,#7" TMS) - 70eV, PositiveNot Available2021-10-14Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Hydromorphone 3-beta-O-glucuronide 10V, Positive-QTOFsplash10-01pc-0090700000-45ae5b424c460a637baf2017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Hydromorphone 3-beta-O-glucuronide 20V, Positive-QTOFsplash10-000i-0090000000-ce28e04651b6d1d0febf2017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Hydromorphone 3-beta-O-glucuronide 40V, Positive-QTOFsplash10-0avr-3190000000-e20c26a7f1eebbe8c1512017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Hydromorphone 3-beta-O-glucuronide 10V, Negative-QTOFsplash10-03e9-1240900000-604cbfd58ff1537488072017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Hydromorphone 3-beta-O-glucuronide 20V, Negative-QTOFsplash10-001i-1190200000-d6df654d71e8f4969dba2017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Hydromorphone 3-beta-O-glucuronide 40V, Negative-QTOFsplash10-001i-3190000000-02faffd0d5b94a1f9d8f2017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Hydromorphone 3-beta-O-glucuronide 10V, Positive-QTOFsplash10-03di-0020900000-fded2e5cf097ef09d70c2021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Hydromorphone 3-beta-O-glucuronide 20V, Positive-QTOFsplash10-03dl-0102900000-75f6615b9dac5764178f2021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Hydromorphone 3-beta-O-glucuronide 40V, Positive-QTOFsplash10-03xr-1225900000-b60e838aef1464d7444b2021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Hydromorphone 3-beta-O-glucuronide 10V, Negative-QTOFsplash10-03di-0000900000-122b566ef58d51daafca2021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Hydromorphone 3-beta-O-glucuronide 20V, Negative-QTOFsplash10-01q9-5081900000-1c8180a72d535c3210b52021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Hydromorphone 3-beta-O-glucuronide 40V, Negative-QTOFsplash10-0a4i-9044300000-1874886a5f82989416452021-10-12Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm
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 IDNot Available
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound6426858
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