Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID017919

Phytochemical name: 2,a4-aOctadienal

Synonymous chemical names:
2,a4-aOctadienal

External chemical identifiers:
CID:CID_61874, Molport-044-723-748

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Chemical structure information

SMILES:
CCCC=CC=CC=O

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

InChIKey:
DVVATNQISMINCX-UHFFFAOYSA-N

DeepSMILES:
CCCC=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: 2.406

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Chemical structure download