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CHEBI:772 - 16alpha,17beta-Estriol 17-(beta-D-glucuronide)

ChEBI IDCHEBI:772
ChEBI Name16alpha,17beta-Estriol 17-(beta-D-glucuronide)
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC24H32O9
Net Charge0
Average Mass464.511
Monoisotopic Mass464.20463
SMILES[H][C@@]12CCc3cc(O)ccc3[C@@]1([H])CC[C@]1(C)[C@@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)C[C@@]21[H]
InChIInChI=1S/C24H32O9/c1-24-7-6-13-12-5-3-11(25)8-10(12)2-4-14(13)15(24)9-16(26)21(24)33-23-19(29)17(27)18(28)20(32-23)22(30)31/h3,5,8,13-21,23,25-29H,2,4,6-7,9H2,1H3,(H,30,31)/t13-,14-,15+,16-,17+,18+,19-,20+,21+,23+,24+/m1/s1
InChIKeyCZGFLAQOJPXVRV-FLVROIOLSA-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)
16alpha,17beta-Estriol 17-(beta-D-glucuronide) (CHEBI:772) is a steroid saponin (CHEBI:61655)
Synonym  Source
16alpha,17beta-Estriol 17-(beta-D-glucuronide)KEGG COMPOUND
Manual XrefsDatabases
C11346KEGG COMPOUND
HMDB0010333HMDB
Registry NumbersSources
CAS:7219-89-8KEGG COMPOUND