Summary

IMPPAT Phytochemical identifier: IMPHY001529

Phytochemical name: 4-Oxononanal

Synonymous chemical names:
4-oxo-nonanal, 4-oxononanal

External chemical identifiers:
CID:156288, ChEBI:171761, SureChEMBL:SCHEMBL1866128

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Chemical structure information

SMILES:
CCCCCC(=O)CCC=O

InChI:
InChI=1S/C9H16O2/c1-2-3-4-6-9(11)7-5-8-10/h8H,2-7H2,1H3

InChIKey:
MGOKSQNXXRPCMD-UHFFFAOYSA-N

DeepSMILES:
CCCCCC=O)CCC=O

Functional groups:
CC(C)=O, CC=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: Fatty aldehydes, Oxygenated hydrocarbons

NP-Likeness score: 1.695

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Chemical structure download