Summary

IMPPAT Phytochemical identifier: IMPHY008271

Phytochemical name: Hex-3-enyl formate

Synonymous chemical names:
hex-3-enyl formate

External chemical identifiers:
CID:36502

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Chemical structure information

SMILES:
CCC=CCCOC=O

InChI:
InChI=1S/C7H12O2/c1-2-3-4-5-6-9-7-8/h3-4,7H,2,5-6H2,1H3

InChIKey:
XJHQVZQZUGLZLS-UHFFFAOYSA-N

DeepSMILES:
CCC=CCCOC=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 esters

NP Classifier Class: Wax monoesters

NP-Likeness score: 1.957

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Chemical structure download