Summary

IMPPAT Phytochemical identifier: IMPHY015636

Phytochemical name: (E)-3-Hexenyl nonanoate

Synonymous chemical names:
(e)-3-hexenylnonanoate

External chemical identifiers:
CID:91747486

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Chemical structure information

SMILES:
CCCCCCCCC(=O)OCC/C=C/CC

InChI:
InChI=1S/C15H28O2/c1-3-5-7-9-10-11-13-15(16)17-14-12-8-6-4-2/h6,8H,3-5,7,9-14H2,1-2H3/b8-6+

InChIKey:
IUYCKYXEGRHRME-SOFGYWHQSA-N

DeepSMILES:
CCCCCCCCC=O)OCC/C=C/CC

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

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty acid esters

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty esters

NP Classifier Class: Wax monoesters

NP-Likeness score: 1.001

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Chemical structure download