CHEBI:228043 - 3-hydroxy-4-(1-oxo-ethane)benzoic acid

ChEBI IDCHEBI:228043
ChEBI Name3-hydroxy-4-(1-oxo-ethane)benzoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H8O4
Net Charge0
Average Mass180.159
Monoisotopic Mass180.04226
SMILESCC(=O)c1ccc(C(=O)O)cc1O
InChIInChI=1S/C9H8O4/c1-5(10)7-3-2-6(9(12)13)4-8(7)11/h2-4,11H,1H3,(H,12,13)
InChIKeyMKTAASUBWXZBNB-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Aspergillus versicolor (ncbitaxon:46472) - DOI (10.1016/j.phytol.2019.04.023)
ChEBI Ontology
Outgoing Relation(s)
3-hydroxy-4-(1-oxo-ethane)benzoic acid (CHEBI:228043) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
4-acetyl-3-hydroxybenzoic acid
Manual XrefsDatabases
8830302ChemSpider
D72155KEGG DRUG