9,10-dehydrofusaric acid methyl ester (CHEBI:216236)

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CHEBI:216236 - 9,10-dehydrofusaric acid methyl ester

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ChEBI ID	CHEBI:216236
ChEBI Name	9,10-dehydrofusaric acid methyl ester
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C11H13NO2
Net Charge	0
Average Mass	191.230
Monoisotopic Mass	191.09463
SMILES	C=CCCc1ccc(C(=O)OC)nc1
InChI	InChI=1S/C11H13NO2/c1-3-4-5-9-6-7-10(12-8-9)11(13)14-2/h3,6-8H,1,4-5H2,2H3
InChIKey	LYCDOHVYYYUHNB-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Fusarium nygamai (ncbitaxon:42673)	-	DOI (10.1016/0031-9422(95)00716-4)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	9,10-dehydrofusaric acid methyl ester (CHEBI:216236) is a pyrimidinecarboxylic acid (CHEBI:78574)

IUPAC Name
methyl 5-but-3-enylpyridine-2-carboxylate

Manual Xrefs	Databases
78435132	ChemSpider