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CHEBI:143494 - Troglitazone glucuronide

ChEBI IDCHEBI:143494
ChEBI NameTroglitazone glucuronide
Stars
Submittermwilliams
DownloadsMolfile
FormulaC30H35NO11S
Net Charge0
Average Mass617.673
Monoisotopic Mass617.19308
SMILESCc1c(C)c2c(c(C)c1O[C@H]1O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]1O)CCC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)O2
InChIInChI=1S/C30H35NO11S/c1-13-14(2)24-18(15(3)23(13)40-28-22(34)20(32)21(33)25(41-28)27(36)37)9-10-30(4,42-24)12-39-17-7-5-16(6-8-17)11-19-26(35)31-29(38)43-19/h5-8,19-22,25,28,32-34H,9-12H2,1-4H3,(H,36,37)(H,31,35,38)/t19?,20-,21-,22+,25-,28+,30?/m1/s1
InChIKeyNUTWTXPQUHCSIQ-DRRZHLNCSA-N
ChEBI Ontology
Outgoing Relation(s)
Troglitazone glucuronide (CHEBI:143494) is a aromatic ether (CHEBI:35618)
Troglitazone glucuronide (CHEBI:143494) is a thiazolidinone (CHEBI:48891)