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CHEBI:80631 - Morphine-3-glucuronide

ChEBI IDCHEBI:80631
ChEBI NameMorphine-3-glucuronide
Stars
DownloadsMolfile
FormulaC23H27NO9
Net Charge0
Average Mass461.467
Monoisotopic Mass461.16858
SMILES[H][C@@]12C=C[C@H](O)[C@@H]3Oc4c(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)ccc5c4[C@@]31CCN(C)[C@@H]2C5
InChIInChI=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/h2-5,10-12,15-17,19-20,22,25-28H,6-8H2,1H3,(H,29,30)/t10-,11+,12-,15-,16-,17+,19-,20-,22+,23-/m0/s1
InChIKeyWAEXKFONHRHFBZ-ZXDZBKESSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
Morphine-3-glucuronide (CHEBI:80631) is a morphinane alkaloid (CHEBI:25418)
Manual XrefsDatabases
C16643KEGG COMPOUND
HMDB0041936HMDB
Registry NumbersSources
CAS:20290-09-9KEGG COMPOUND