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CHEBI:235438 - Bisphenol A glucoronide

ChEBI IDCHEBI:235438
ChEBI NameBisphenol A glucoronide
Stars
Submitterjhunter
DownloadsMolfile
FormulaC21H24O8
Net Charge0
Average Mass404.415
Monoisotopic Mass404.14712
SMILESCC(C)(c1ccc(O)cc1)c1ccc(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc1
InChIInChI=1S/C21H24O8/c1-21(2,11-3-7-13(22)8-4-11)12-5-9-14(10-6-12)28-20-17(25)15(23)16(24)18(29-20)19(26)27/h3-10,15-18,20,22-25H,1-2H3,(H,26,27)/t15-,16-,17+,18-,20+/m0/s1
InChIKeyKHZOXXYQSBJDHB-HBWRTXEVSA-N
ChEBI Ontology
Outgoing Relation(s)
Bisphenol A glucoronide (CHEBI:235438) is a glucosiduronic acid (CHEBI:24302)