Scalbucillin A (CHEBI:202992)

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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	Scalbucillin A

ChEBI ID	CHEBI:202992

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C14H14O5

Net Charge

Average Mass

262.261

Monoisotopic Mass

262.08412

InChI

InChI=1S/C14H14O5/c1-3-4-5-6-11(15)9-7-10(14(17)18)13(19-2)8-12(9)16/h3-8,16H,1-2H3,(H,17,18)/b4-3+,6-5+

InChIKey

YUSQNPUACBIUPR-VNKDHWASSA-N

SMILES

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

Metabolite of Species	Details
Scytalidium (NCBI:txid5538)	See: PubMed

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	Scalbucillin A (CHEBI:202992) is a methoxybenzoic acid (CHEBI:25238)

IUPAC Name

5-[(2E,4E)-hexa-2,4-dienoyl]-4-hydroxy-2-methoxybenzoic acid