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CHEBI:193237 - Estradiol acetate glucuronide

ChEBI IDCHEBI:193237
ChEBI NameEstradiol acetate glucuronide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H34O9
Net Charge0
Average Mass490.549
Monoisotopic Mass490.22028
SMILESCC(=O)OC1CCC2C3CCc4cc(OC5OC(C(=O)O)C(O)C(O)C5O)ccc4C3CCC12C
InChIInChI=1S/C26H34O9/c1-12(27)33-19-8-7-18-17-5-3-13-11-14(4-6-15(13)16(17)9-10-26(18,19)2)34-25-22(30)20(28)21(29)23(35-25)24(31)32/h4,6,11,16-23,25,28-30H,3,5,7-10H2,1-2H3,(H,31,32)
InChIKeyUJWWCALEXRYEBV-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS5335)
ChEBI Ontology
Outgoing Relation(s)
Estradiol acetate glucuronide (CHEBI:193237) is a steroid glucosiduronic acid (CHEBI:26763)
IUPAC Name 
6-[(17-acetyloxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0061687HMDB