Cavoxin (CHEBI:218468)

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CHEBI:218468 - Cavoxin

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ChEBI ID	CHEBI:218468
ChEBI Name	Cavoxin
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C17H20O6
Net Charge	0
Average Mass	320.341
Monoisotopic Mass	320.12599
SMILES	CCC/C=C/C=C/C(=O)c1c(OC)cc(CO)c(C(=O)O)c1O
InChI	InChI=1S/C17H20O6/c1-3-4-5-6-7-8-12(19)15-13(23-2)9-11(10-18)14(16(15)20)17(21)22/h5-9,18,20H,3-4,10H2,1-2H3,(H,21,22)/b6-5+,8-7+
InChIKey	NLNHSFBYVSNFRF-BSWSSELBSA-N

Species of Metabolite	Component	Source	Comments
Phoma (ncbitaxon:37463)	-	DOI (10.1021/np50042a005)

Roles Classification

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

Outgoing Relation(s)
	Cavoxin (CHEBI:218468) is a methoxybenzoic acid (CHEBI:25238)

IUPAC Name
2-hydroxy-6-(hydroxymethyl)-4-methoxy-3-[(2E,4E)-octa-2,4-dienoyl]benzoic acid

Manual Xrefs	Databases
4946602	ChemSpider