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CHEBI:179634 - p-O-glucuronide rosiglitazone

ChEBI IDCHEBI:179634
ChEBI Namep-O-glucuronide rosiglitazone
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SubmitterMetaboLights
DownloadsMolfile
FormulaC24H27N3O10S
Net Charge0
Average Mass549.558
Monoisotopic Mass549.14172
SMILESCN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccc(OC2OC(C(=O)O)C(O)C(O)C2O)cn1
InChIInChI=1S/C24H27N3O10S/c1-27(8-9-35-13-4-2-12(3-5-13)10-15-21(31)26-24(34)38-15)16-7-6-14(11-25-16)36-23-19(30)17(28)18(29)20(37-23)22(32)33/h2-7,11,15,17-20,23,28-30H,8-10H2,1H3,(H,32,33)(H,26,31,34)
InChIKeyQGESYIGEZXWVIN-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
p-O-glucuronide rosiglitazone (CHEBI:179634) is a glucosiduronic acid (CHEBI:24302)
IUPAC Name 
6-[6-[2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl-methylamino]pyridin-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0060862HMDB
22547081ChemSpider