(7E)-2-acetyl-2,3,4,5-tetrahydrooxonine-6,9-dione (CHEBI:197042)

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CHEBI:197042 - (7E)-2-acetyl-2,3,4,5-tetrahydrooxonine-6,9-dione

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ChEBI ID	CHEBI:197042
ChEBI Name	(7E)-2-acetyl-2,3,4,5-tetrahydrooxonine-6,9-dione
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C10H12O4
Net Charge	0
Average Mass	196.202
Monoisotopic Mass	196.07356
SMILES	CC(=O)C1CCCC(=O)/C=C/C(=O)O1
InChI	InChI=1S/C10H12O4/c1-7(11)9-4-2-3-8(12)5-6-10(13)14-9/h5-6,9H,2-4H2,1H3/b6-5+
InChIKey	ZZNRQUMEJUAXMD-AATRIKPKSA-N

Species of Metabolite	Component	Source	Comments
Cannabis sativa (ncbitaxon:3483)	inflorescence (BTO:0000628)	MetaboLights (MTBLS6032)	Strain: Cannabis sativa var. DMG265

ChEBI Ontology

Outgoing Relation(s)
	(7E)-2-acetyl-2,3,4,5-tetrahydrooxonine-6,9-dione (CHEBI:197042) is a carboxylic ester (CHEBI:33308)
	(7E)-2-acetyl-2,3,4,5-tetrahydrooxonine-6,9-dione (CHEBI:197042) is a ketone (CHEBI:17087)

IUPAC Name
(7E)-2-acetyl-2,3,4,5-tetrahydrooxonine-6,9-dione

Manual Xrefs	Databases
4531146	ChemSpider