Summary

IMPPAT Phytochemical identifier: IMPHY015364

Phytochemical name: 4,4,8-Trimethyl-non-7-en-2-one

Synonymous chemical names:
4, 4, 8-trimethyl-non-7-en-2-one

External chemical identifiers:
CID:538954

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Chemical structure information

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

InChI:
InChI=1S/C12H22O/c1-10(2)7-6-8-12(4,5)9-11(3)13/h7H,6,8-9H2,1-5H3

InChIKey:
AFTMGFUCSPVUSF-UHFFFAOYSA-N

DeepSMILES:
CC=CCCCCC=O)C)))C)C)))))C

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

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Monoterpenoids

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Oxygenated hydrocarbons

NP-Likeness score: 1.384

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Chemical structure download