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CHEBI:149475 - N,O-didesmethylvenlafaxine-glucuronide

ChEBI IDCHEBI:149475
ChEBI NameN,O-didesmethylvenlafaxine-glucuronide
Stars
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DownloadsMolfile
FormulaC21H31NO8
Net Charge0
Average Mass425.478
Monoisotopic Mass425.20497
SMILESCNCC(c1ccc(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc1)C1(O)CCCCC1
InChIInChI=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
InChIKeyUDNAJOOLWIWCAW-SQBZNDFJSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:960) urine (BTO:0001419) PubMed (31659512)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
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)