CHEBI:219033 - Pyrenochaetic acid H

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ChEBI Name Pyrenochaetic acid H
ChEBI ID CHEBI:219033
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C13H14O5
Net Charge 0
Average Mass 250.250
Monoisotopic Mass 250.08412
InChI InChI=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)
InChIKey BBLZJLZMMLUHJZ-UHFFFAOYSA-N
SMILES O=C(O)C1=CC(OC)=C(C(=O)C(=O)CC)C(=C1)C
Metabolite of Species Details
Alternariaspecies (NCBI:txid1715220) See: PubMed
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Pyrenochaetic acid H (CHEBI:219033) is a methoxybenzoic acid (CHEBI:25238)
IUPAC Name
3-methoxy-5-methyl-4-(2-oxobutanoyl)benzoic acid