CHEBI:190411 - Estriol-16-Glucuronide

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ChEBI Name Estriol-16-Glucuronide
ChEBI ID CHEBI:190411
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C24H32O9
Net Charge 0
Average Mass 464.511
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(21(24)29)32-23-19(28)17(26)18(27)20(33-23)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-/m0/s1
InChIKey FQYGGFDZJFIDPU-CBXPMNRHSA-N
SMILES O(C1C(O)[C@@]2(C(C3C(CC2)C4=C(CC3)C=C(O)C=C4)C1)C)C5OC(C(O)C(O)C5O)C(O)=O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in liver (BTO:0000759). of strain C57BL/6J  [EFO:0000606] See: MetaboLights Study
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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Estriol-16-Glucuronide (CHEBI:190411) is a steroid saponin (CHEBI:61655)
IUPAC Name
6-[[(13S)-3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid