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CHEBI:219033 - Pyrenochaetic acid H

ChEBI IDCHEBI:219033
ChEBI NamePyrenochaetic acid H
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H14O5
Net Charge0
Average Mass250.250
Monoisotopic Mass250.08412
SMILESCCC(=O)C(=O)c1c(C)cc(C(=O)O)cc1OC
InChIInChI=1S/C13H14O5/c1-4-9(14)12(15)11-7(2)5-8(13(16)17)6-10(11)18-3/h5-6H,4H2,1-3H3,(H,16,17)
InChIKeyBBLZJLZMMLUHJZ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Alternariaspecies (ncbitaxon:1715220) - PubMed (25265160)
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 H (CHEBI:219033) is a methoxybenzoic acid (CHEBI:25238)
IUPAC Name 
3-methoxy-5-methyl-4-(2-oxobutanoyl)benzoic acid