Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID009064

Phytochemical name: (E)-3-methyl-2-nonen-4-one

Synonymous chemical names:
(e)-3-methyl-2-nonen-4-one, (e)-3-methyl-2-nonen-4-one(1)

External chemical identifiers:
CID:CID_91749929

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Chemical structure information

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

InChI:
InChI=1S/C10H18O/c1-4-6-7-8-10(11)9(3)5-2/h5H,4,6-8H2,1-3H3/b9-5+

InChIKey:
OSRWKMOFHSWRRX-WEVVVXLNSA-N

DeepSMILES:
CCCCCC=O)/C=C/C))/C

Functional groups:
C/C=C(\C)C(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: 1.47

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Chemical structure download