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CHEBI:232997 - ezetimibe phenoxy glucuronide

ChEBI IDCHEBI:232997
ChEBI Nameezetimibe phenoxy glucuronide
Stars
Submittermwilliams
DownloadsMolfile
FormulaC30H29F2NO9
Net Charge0
Average Mass585.556
Monoisotopic Mass585.18104
SMILESO=C(O)[C@H]1O[C@@H](Oc2ccc([C@@H]3[C@@H](CC[C@H](O)c4ccc(F)cc4)C(=O)N3c3ccc(F)cc3)cc2)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C30H29F2NO9/c31-17-5-1-15(2-6-17)22(34)14-13-21-23(33(28(21)38)19-9-7-18(32)8-10-19)16-3-11-20(12-4-16)41-30-26(37)24(35)25(36)27(42-30)29(39)40/h1-12,21-27,30,34-37H,13-14H2,(H,39,40)/t21-,22+,23-,24+,25+,26-,27+,30-/m1/s1
InChIKeyUOFYCFMTERCNEW-ADEYADIWSA-N
ChEBI Ontology
Outgoing Relation(s)
ezetimibe phenoxy glucuronide (CHEBI:232997) is a glycoside (CHEBI:24400)