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CHEBI:93997 - 2-[1-(2,6-dioxocyclohexyl)-3-phenylprop-2-ynyl]cyclohexane-1,3-dione

ChEBI IDCHEBI:93997
ChEBI Name2-[1-(2,6-dioxocyclohexyl)-3-phenylprop-2-ynyl]cyclohexane-1,3-dione
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FormulaC21H20O4
Net Charge0
Average Mass336.387
Monoisotopic Mass336.13616
SMILESO=C1CCCC(=O)C1C(C#Cc1ccccc1)C1C(=O)CCCC1=O
InChIInChI=1S/C21H20O4/c22-16-8-4-9-17(23)20(16)15(13-12-14-6-2-1-3-7-14)21-18(24)10-5-11-19(21)25/h1-3,6-7,15,20-21H,4-5,8-11H2
InChIKeyFOSKRCKJJPKJBP-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[1-(2,6-dioxocyclohexyl)-3-phenylprop-2-ynyl]cyclohexane-1,3-dione (CHEBI:93997) is a β-diketone (CHEBI:67265)
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LSM-4583LINCS