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CHEBI:218239 - Aspergillusic acid

ChEBI IDCHEBI:218239
ChEBI NameAspergillusic acid
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SubmitterMetaboLights
DownloadsMolfile
FormulaC13H12O3
Net Charge0
Average Mass216.236
Monoisotopic Mass216.07864
SMILESC=C(C)C#Cc1cc(C(=O)O)ccc1OC
InChIInChI=1S/C13H12O3/c1-9(2)4-5-10-8-11(13(14)15)6-7-12(10)16-3/h6-8H,1H2,2-3H3,(H,14,15)
InChIKeyBZUCIVANDDTNAW-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (25375978)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Aspergillusic acid (CHEBI:218239) is a methoxybenzoic acid (CHEBI:25238)
IUPAC Name 
4-methoxy-3-(3-methylbut-3-en-1-ynyl)benzoic acid
Manual XrefsDatabases
78434891ChemSpider