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CHEBI:191019 - Benzoic acid, 2-[[(2z)-3-(3,4-dimethoxyphenyl)-1-oxo-2-propen-1-yl]amino]-3-hydroxy-

ChEBI IDCHEBI:191019
ChEBI NameBenzoic acid, 2-[[(2z)-3-(3,4-dimethoxyphenyl)-1-oxo-2-propen-1-yl]amino]-3-hydroxy-
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H17NO6
Net Charge0
Average Mass343.335
Monoisotopic Mass343.10559
SMILESCOc1ccc(/C=C\C(=O)Nc2c(O)cccc2C(=O)O)cc1OC
InChIInChI=1S/C18H17NO6/c1-24-14-8-6-11(10-15(14)25-2)7-9-16(21)19-17-12(18(22)23)4-3-5-13(17)20/h3-10,20H,1-2H3,(H,19,21)(H,22,23)/b9-7-
InChIKeyHUBVPPBIEOCMIE-CLFYSBASSA-N
Species of MetaboliteComponentSourceComments
Rattus norvegicus (ncbitaxon:10116) INS-1 cell (BTO:0002135) MetaboLights (MTBLS3963)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Benzoic acid, 2-[[(2z)-3-(3,4-dimethoxyphenyl)-1-oxo-2-propen-1-yl]amino]-3-hydroxy- (CHEBI:191019) is a hydroxybenzoic acid (CHEBI:24676)
IUPAC Name 
2-[[(Z)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]-3-hydroxybenzoic acid
Manual XrefsDatabases
21467637ChemSpider