Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID017921

Phytochemical name: Hepta-2,4-dienal

Synonymous chemical names:
Hepta-2,4-dienal

External chemical identifiers:
CID:CID_20307, Molport-006-117-335

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Chemical structure information

SMILES:
CCC=CC=CC=O

InChI:
InChI=1S/C7H10O/c1-2-3-4-5-6-7-8/h3-7H,2H2,1H3

InChIKey:
SATICYYAWWYRAM-UHFFFAOYSA-N

DeepSMILES:
CCC=CC=CC=O

Functional groups:
CC=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: 2.579

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Chemical structure download