Summary

IMPPAT Phytochemical identifier: IMPHY012612

Phytochemical name: 11-Methyl-4-dodecanone

Synonymous chemical names:
11-methyl-4-dodecanone

External chemical identifiers:
CID:551295

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Chemical structure information

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

InChI:
InChI=1S/C13H26O/c1-4-9-13(14)11-8-6-5-7-10-12(2)3/h12H,4-11H2,1-3H3

InChIKey:
HKKPNGKIYAETLS-UHFFFAOYSA-N

DeepSMILES:
CCCC=O)CCCCCCCC)C

Functional groups:
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: 0.944

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Chemical structure download