Pyrenochaetic acid A (CHEBI:218878)

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	Pyrenochaetic acid A

ChEBI ID	CHEBI:218878

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C13H14O4

Net Charge

Average Mass

234.251

Monoisotopic Mass

234.08921

InChI

InChI=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+

InChIKey

OVZSCDODFBUOPL-SNAWJCMRSA-N

SMILES

O=C(O)C1=CC(OC)=C(C(=O)/C=C/C)C(=C1)C

Metabolite of Species	Details
Setophoma terrestris (NCBI:txid798162)	See: DOI

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

ChEBI Ontology
Outgoing	Pyrenochaetic acid A (CHEBI:218878) is a methoxybenzoic acid (CHEBI:25238)

IUPAC Name

4-[(E)-but-2-enoyl]-3-methoxy-5-methylbenzoic acid