Summary

IMPPAT Phytochemical identifier: IMPHY015682

Phytochemical name: (e,z)-2-4-Heptadienal

Synonymous chemical names:
(e,z)-2-4,heptadienal

External chemical identifiers:
CID:129847937

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Chemical structure information

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

InChI:
InChI=1S/C8H12O/c1-3-4-5-6-8(2)7-9/h4,6-8H,3H2,1-2H3

InChIKey:
YBEHXFMOGLQNNU-UHFFFAOYSA-N

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

Functional groups:
CC=C=CC, 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

NP-Likeness score: 1.34

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Chemical structure download