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CHEBI:212271 - Vulculic acid

ChEBI IDCHEBI:212271
ChEBI NameVulculic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H12O6
Net Charge0
Average Mass240.211
Monoisotopic Mass240.06339
SMILESCOc1cc(CC(=O)O)c(C(C)=O)c(O)c1O
InChIInChI=1S/C11H12O6/c1-5(12)9-6(4-8(13)14)3-7(17-2)10(15)11(9)16/h3,15-16H,4H2,1-2H3,(H,13,14)
InChIKeyVZNCGLFWZZLBMT-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Penicilliumspecies (ncbitaxon:5081) - DOI (10.1271/bbb1961.55.1137)
ChEBI Ontology
Outgoing Relation(s)
Vulculic acid (CHEBI:212271) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
2-(2-acetyl-3,4-dihydroxy-5-methoxyphenyl)acetic acid
Manual XrefsDatabases
35805654ChemSpider