Ethyl 4-(ethyloxy)-2-oxobut-3-enoate (CHEBI:229397)

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CHEBI:229397 - Ethyl 4-(ethyloxy)-2-oxobut-3-enoate

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ChEBI ID	CHEBI:229397
ChEBI Name	Ethyl 4-(ethyloxy)-2-oxobut-3-enoate
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C8H12O4
Net Charge	0
Average Mass	172.180
Monoisotopic Mass	172.07356
SMILES	CCO/C=C/C(=O)C(=O)OCC
InChI	InChI=1S/C8H12O4/c1-3-11-6-5-7(9)8(10)12-4-2/h5-6H,3-4H2,1-2H3/b6-5+
InChIKey	XPBYGYFJOZXYOE-AATRIKPKSA-N

Species of Metabolite	Component	Source	Comments
Oryctolagus cuniculus (ncbitaxon:9986)	longissimus thoracis (BTO:0001651)	MetaboLights (MTBLS8958)

ChEBI Ontology

Outgoing Relation(s)
	Ethyl 4-(ethyloxy)-2-oxobut-3-enoate (CHEBI:229397) is a fatty acid ester (CHEBI:35748)

IUPAC Name
ethyl (E)-4-ethoxy-2-oxobut-3-enoate

Manual Xrefs	Databases
4927317	ChemSpider