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CHEBI:230589 - o-desmethylindomethacin

Default Structure
ChEBI IDCHEBI:230589
ChEBI Nameo-desmethylindomethacin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H14ClNO4
Net Charge0
Average Mass343.766
Monoisotopic Mass343.06114
SMILESCc1c(CC(=O)O)c2cc(O)ccc2n1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H14ClNO4/c1-10-14(9-17(22)23)15-8-13(21)6-7-16(15)20(10)18(24)11-2-4-12(19)5-3-11/h2-8,21H,9H2,1H3,(H,22,23)
InChIKeyKMLNWQPYFBIALN-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS9087)
ChEBI Ontology
Outgoing Relation(s)
o-desmethylindomethacin (CHEBI:230589) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
2-[1-(4-chlorobenzoyl)-5-hydroxy-2-methylindol-3-yl]acetic acid
Manual XrefsDatabases
140385ChemSpider
HMDB0060545HMDB