Summary

IMPPAT Phytochemical identifier: IMPHY017924

Phytochemical name: Hexatrienoic acid methyl ester

Synonymous chemical names:
hexatrienoic acid methyl ester

Chemical structure information

SMILES:
CC=C=C=CC(=O)OC

InChI:
InChI=1S/C7H8O2/c1-3-4-5-6-7(8)9-2/h3,6H,1-2H3/b6-3+

InChIKey:
BTRVZIDXBMCKBN-ZZXKWVIFSA-N

DeepSMILES:
CC=C=C=CC=O)OC

Functional groups:
CC=C=C=CC(=O)OC

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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: 0.684

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Chemical structure download