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

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ChEBI Name 16alpha,17beta-Estriol 17-(beta-D-glucuronide)
ChEBI ID CHEBI:772
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C24H31O9
Net Charge 0
Average Mass 464.506
Monoisotopic Mass 464.20463
InChI InChI=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
InChIKey CZGFLAQOJPXVRV-FLVROIOLSA-N
SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1C[C@@H](O)[C@@H]2O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via saponin )
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ChEBI Ontology
Outgoing 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 Xrefs Databases
C11346 KEGG COMPOUND
HMDB0010333 HMDB
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Registry Number Type Source
7219-89-8 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014