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CHEBI:166759 - 15-Hydroxynorandrostene-3,17-dione glucuronide

ChEBI IDCHEBI:166759
ChEBI Name15-Hydroxynorandrostene-3,17-dione glucuronide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H32O9
Net Charge0
Average Mass464.511
Monoisotopic Mass464.20463
SMILES[H][C@]12CC[C@]3(C)C(=O)C[C@H](O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)[C@@]3([H])[C@]1([H])CCC1=CC(=O)CC[C@@]12[H]
InChIInChI=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
InChIKeyADQUXZRKOKKULD-CZOXBATISA-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)
15-Hydroxynorandrostene-3,17-dione glucuronide (CHEBI:166759) is a steroid saponin (CHEBI:61655)
IUPAC Name 
(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[(8R,9S,10R,13S,14S,15S)-13-methyl-3,17-dioxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-15-yl]oxy]oxane-2-carboxylic acid
Manual XrefsDatabases
24850124ChemSpider
LMST05010033LIPID MAPS
C03033KEGG COMPOUND
HMDB0010353HMDB
Beta-D-GlucuronidesMetaCyc