CHEBI:149475 - N,O-didesmethylvenlafaxine-glucuronide

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name N,O-didesmethylvenlafaxine-glucuronide
ChEBI ID CHEBI:149475
Stars This entity has been manually annotated by a third party.
Submitter Mark Williams
Supplier Information
Download Molfile XML SDF
Formula C21H31NO8
Net Charge 0
Average Mass 425.478
Monoisotopic Mass 425.20497
InChI InChI=1S/C21H31NO8/c1-22-11-14(21(28)9-3-2-4-10-21)12-5-7-13(8-6-12)29-20-17(25)15(23)16(24)18(30-20)19(26)27/h5-8,14-18,20,22-25,28H,2-4,9-11H2,1H3,(H,26,27)/t14?,15-,16-,17+,18-,20+/m0/s1
InChIKey UDNAJOOLWIWCAW-SQBZNDFJSA-N
SMILES OC1(C(CNC)C2=CC=C(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)C=C2)CCCCC1
Metabolite of Species Details
Homo sapiens (NCBI:txid960) Found in urine (BTO:0001419). See: PubMed
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing N,O-didesmethylvenlafaxine-glucuronide (CHEBI:149475) is a aralkylamine (CHEBI:18000)
N,O-didesmethylvenlafaxine-glucuronide (CHEBI:149475) is a cyclohexanols (CHEBI:23480)
N,O-didesmethylvenlafaxine-glucuronide (CHEBI:149475) is a glucosiduronic acid (CHEBI:24302)
N,O-didesmethylvenlafaxine-glucuronide (CHEBI:149475) is a glycoside (CHEBI:24400)