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CHEBI:168424 - o-O-glucuronide rosiglitazone

ChEBI IDCHEBI:168424
ChEBI Nameo-O-glucuronide rosiglitazone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H27N3O10S
Net Charge0
Average Mass549.558
Monoisotopic Mass549.14172
SMILESCN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ncccc1OC1OC(C(=O)O)C(O)C(O)C1O
InChIInChI=1S/C24H27N3O10S/c1-27(9-10-35-13-6-4-12(5-7-13)11-15-21(31)26-24(34)38-15)20-14(3-2-8-25-20)36-23-18(30)16(28)17(29)19(37-23)22(32)33/h2-8,15-19,23,28-30H,9-11H2,1H3,(H,32,33)(H,26,31,34)
InChIKeyYDRMOALONMVDNG-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
o-O-glucuronide rosiglitazone (CHEBI:168424) is a glucosiduronic acid (CHEBI:24302)
IUPAC Name 
6-[2-[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
74886498ChemSpider
HMDB0060857HMDB