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

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 3-hydroxy-4-(1-oxo-ethane)benzoic acid
ChEBI ID CHEBI:228043
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C9H8O4
Net Charge 0
Average Mass 180.159
Monoisotopic Mass 180.04226
InChI InChI=1S/C9H8O4/c1-5(10)7-3-2-6(9(12)13)4-8(7)11/h2-4,11H,1H3,(H,12,13)
InChIKey MKTAASUBWXZBNB-UHFFFAOYSA-N
SMILES O=C(O)C1=CC(O)=C(C(=O)C)C=C1
Metabolite of Species Details
Aspergillus versicolor (NCBI:txid46472) See: DOI
ChEBI Ontology
Outgoing 3-hydroxy-4-(1-oxo-ethane)benzoic acid (CHEBI:228043) is a aromatic ketone (CHEBI:76224)
IUPAC Name
4-acetyl-3-hydroxybenzoic acid
Manual Xrefs Databases
8830302 ChemSpider
D72155 KEGG DRUG
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