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CHEBI:218878 - Pyrenochaetic acid A

ChEBI IDCHEBI:218878
ChEBI NamePyrenochaetic acid A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H14O4
Net Charge0
Average Mass234.251
Monoisotopic Mass234.08921
SMILESC/C=C/C(=O)c1c(C)cc(C(=O)O)cc1OC
InChIInChI=1S/C13H14O4/c1-4-5-10(14)12-8(2)6-9(13(15)16)7-11(12)17-3/h4-7H,1-3H3,(H,15,16)/b5-4+
InChIKeyOVZSCDODFBUOPL-SNAWJCMRSA-N
Species of MetaboliteComponentSourceComments
Setophoma terrestris (ncbitaxon:798162) - DOI (10.1271/bbb1961.45.1675)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Pyrenochaetic acid A (CHEBI:218878) is a methoxybenzoic acid (CHEBI:25238)
IUPAC Name 
4-[(E)-but-2-enoyl]-3-methoxy-5-methylbenzoic acid
Manual XrefsDatabases
4944885ChemSpider