Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID006205

Phytochemical name: (E)-5-Nonen-2-one

Synonymous chemical names:
5-nonen-2-one

External chemical identifiers:
CID:CID_5363537, ChEBI:CHEBI:167144, FDASRS:S997U4XU8E, SureChEMBL:SCHEMBL1784552

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Chemical structure information

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

InChI:
InChI=1S/C9H16O/c1-3-4-5-6-7-8-9(2)10/h5-6H,3-4,7-8H2,1-2H3/b6-5+

InChIKey:
RXFZCBZCGBDPDT-AATRIKPKSA-N

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

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

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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: 1.543

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Chemical structure download