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

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ChEBI Name (7E)-2-acetyl-2,3,4,5-tetrahydrooxonine-6,9-dione
ChEBI ID CHEBI:197042
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C10H12O4
Net Charge 0
Average Mass 196.202
Monoisotopic Mass 196.07356
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
SMILES O1C(CCCC(=O)C=CC1=O)C(=O)C
Metabolite of Species Details
Cannabis sativa (NCBI:txid3483) Found in inflorescence (BTO:0000628). of strain Cannabis sativa var. DMG265 See: MetaboLights Study
ChEBI Ontology
Outgoing (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 Xref Database
4531146 ChemSpider
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