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CHEBI:213558 - 2,6-Dihydroxy-4,5-dimethyl-3-(3-oxo-1-butenyl) benzoic acid

ChEBI IDCHEBI:213558
ChEBI Name2,6-Dihydroxy-4,5-dimethyl-3-(3-oxo-1-butenyl) benzoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H14O5
Net Charge0
Average Mass250.250
Monoisotopic Mass250.08412
SMILESCC(=O)/C=C/c1c(C)c(C)c(O)c(C(=O)O)c1O
InChIInChI=1S/C13H14O5/c1-6(14)4-5-9-7(2)8(3)11(15)10(12(9)16)13(17)18/h4-5,15-16H,1-3H3,(H,17,18)/b5-4+
InChIKeyKOKRQMCLMWELOX-SNAWJCMRSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
2,6-Dihydroxy-4,5-dimethyl-3-(3-oxo-1-butenyl) benzoic acid (CHEBI:213558) is a hydroxycinnamic acid (CHEBI:24689)
IUPAC Name 
2,6-dihydroxy-3,4-dimethyl-5-[(E)-3-oxobut-1-enyl]benzoic acid
Manual XrefsDatabases
30770802ChemSpider