Summary

IMPPAT Phytochemical identifier: IMPHY016004

Phytochemical name: cis-3-Hexenyl formate

Synonymous chemical names:
(2)-3-hexenyl formate, (z)-hex-3-enyl formate

External chemical identifiers:
CID:5365587, ChEBI:173502, ZINC:ZINC000014438701, FDASRS:E34OB83TYM, SureChEMBL:SCHEMBL272927

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Chemical structure information

SMILES:
CC/C=CCCOC=O

InChI:
InChI=1S/C7H12O2/c1-2-3-4-5-6-9-7-8/h3-4,7H,2,5-6H2,1H3/b4-3-

InChIKey:
XJHQVZQZUGLZLS-ARJAWSKDSA-N

DeepSMILES:
CC/C=CCCOC=O

Functional groups:
C/C=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