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CHEBI:182476 - Pyrenochaetic acid C

ChEBI IDCHEBI:182476
ChEBI NamePyrenochaetic acid C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H16O4
Net Charge0
Average Mass236.267
Monoisotopic Mass236.10486
SMILESCCCC(=O)c1c(C)cc(C(=O)O)cc1OC
InChIInChI=1S/C13H16O4/c1-4-5-10(14)12-8(2)6-9(13(15)16)7-11(12)17-3/h6-7H,4-5H2,1-3H3,(H,15,16)
InChIKeyZKCUSCDHGAMOSP-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Pyrenochaetic acid C (CHEBI:182476) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
4-butanoyl-3-methoxy-5-methylbenzoic acid
Manual XrefsDatabases
81367381ChemSpider
Registry NumbersSources
CAS:79214-47-4ChemIDplus