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CHEBI:169381 - N-Desmethyl-O-hydroxy rosiglitazone

ChEBI IDCHEBI:169381
ChEBI NameN-Desmethyl-O-hydroxy rosiglitazone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H17N3O4S
Net Charge0
Average Mass359.407
Monoisotopic Mass359.09398
SMILESO=C1NC(=O)C(Cc2ccc(OCCNc3ncccc3O)cc2)S1
InChIInChI=1S/C17H17N3O4S/c21-13-2-1-7-18-15(13)19-8-9-24-12-5-3-11(4-6-12)10-14-16(22)20-17(23)25-14/h1-7,14,21H,8-10H2,(H,18,19)(H,20,22,23)
InChIKeyGWVBGLUFILBNNY-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)
N-Desmethyl-O-hydroxy rosiglitazone (CHEBI:169381) is a aromatic ether (CHEBI:35618)
IUPAC Name 
5-[[4-[2-[(3-hydroxypyridin-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
Manual XrefsDatabases
32702400ChemSpider
HMDB0060836HMDB
Registry NumbersSources
CAS:257892-32-3ChemIDplus