CHEBI:143494 - Troglitazone glucuronide

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Troglitazone glucuronide
ChEBI ID CHEBI:143494
Stars This entity has been manually annotated by a third party.
Submitter Mark Williams
Supplier Information
Download Molfile XML SDF
Formula C30H35NO11S
Net Charge 0
Average Mass 617.666
Monoisotopic Mass 617.193
InChI InChI=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
InChIKey NUTWTXPQUHCSIQ-DRRZHLNCSA-N
SMILES S1C(=O)NC(C1CC2=CC=C(OCC3(OC4=C(C(=C(O[C@H]5O[C@@H](C(=O)O)[C@H](O)[C@H]([C@@H]5O)O)C(=C4C)C)C)CC3)C)C=C2)=O
ChEBI Ontology
Outgoing Troglitazone glucuronide (CHEBI:143494) is a aromatic ether (CHEBI:35618)
Troglitazone glucuronide (CHEBI:143494) is a thiazolidinone (CHEBI:48891)