Secondary metabolite:3,3,6-Trimethylhepta-1,5-dien-4-one



EOCID000815
Summary

sCentInDB Chemical identifier: EOCID000815

Chemical name: 3,3,6-Trimethylhepta-1,5-dien-4-one

Molecular formula: C10H16O

SMILES: C=CC(C(=O)C=C(C)C)(C)C

InChI: InChI=1S/C10H16O/c1-6-10(4,5)9(11)7-8(2)3/h6-7H,1H2,2-5H3

InChIKey: OTYVBQZXUNBRTK-UHFFFAOYSA-N


Chemical classification

Kingdom: Organic compounds

Superclass: Organic oxygen compounds

Class: Organooxygen compounds

Subclass: Carbonyl compounds


Synonymous chemical name(s):
artemisia ketone, ariemisia ketone, 1,5-heptadien-4-one,3,3,6-trimethyl


External chemical identifier(s):
CID:68346, CHEMSPIDER:61641, ZINC000001846548, FDASRS:0JA03K53PD, SURECHEMBL:SCHEMBL3159032


Spectrabase ID:
D89oUl1I7rJ


Chemical structure download

2D:2D MOL2D MOL22D SDF
3D:3D MOL3D MOL23D SDF3D PDB3D PDBQT
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