Summary

IMPPAT Phytochemical identifier: IMPHY017428

Phytochemical name: 6,8-Nonadien-2-one, 6-methyl-5-(1-methylethylidene)-

Synonymous chemical names:
6,8-nonadien-2-one,6-methyl-5-(1-methylethylidene)

External chemical identifiers:
CID:5370832

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Chemical structure information

SMILES:
C=C/C=C(/C(=C(C)C)CCC(=O)C)C

InChI:
InChI=1S/C13H20O/c1-6-7-11(4)13(10(2)3)9-8-12(5)14/h6-7H,1,8-9H2,2-5H3/b11-7+

InChIKey:
KUZCXMAGIONJAL-YRNVUSSQSA-N

DeepSMILES:
C=C/C=C/C=CC)C))CCC=O)C)))))C

Functional groups:
C=C/C=C(C)C(C)=C(C)C, CC(C)=O

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbonyl compounds

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP-Likeness score: 1.317

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Chemical structure download