Summary

IMPPAT Phytochemical identifier: IMPHY017097

Phytochemical name: Hept-6-en-2-one, 5-methyl

Synonymous chemical names:
5-methyl ,hept-6-ene-2-one, 5-methyl hept-6-en-2-one

External chemical identifiers:
CID:14140886

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Chemical structure information

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

InChI:
InChI=1S/C8H14O/c1-4-7(2)5-6-8(3)9/h4,7H,1,5-6H2,2-3H3

InChIKey:
PGDGAJMRMWVTTA-UHFFFAOYSA-N

DeepSMILES:
CCC=C))CCC=O)C

Functional groups:
C=CC, 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: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Oxygenated hydrocarbons

NP-Likeness score: 1.922

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Chemical structure download