Summary

IMPPAT Phytochemical identifier: IMPHY017713

Phytochemical name: Octadienyl formate

Synonymous chemical names:
octadienyl formate

External chemical identifiers:
CID:73472835

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Chemical structure information

SMILES:
CCCCC=CC=COC=O

InChI:
InChI=1S/C9H14O2/c1-2-3-4-5-6-7-8-11-9-10/h5-9H,2-4H2,1H3

InChIKey:
XYNXVLJULQJJED-UHFFFAOYSA-N

DeepSMILES:
CCCCC=CC=COC=O

Functional groups:
CC=CC=COC=O

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic acids and derivatives

ClassyFire Class: Carboxylic acids and derivatives

ClassyFire Subclass: Carboxylic acid derivatives

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Fatty aldehydes

NP-Likeness score: 1.984

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Chemical structure download