Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID017968

Phytochemical name: (3z)-Hexenyl acetate

Synonymous chemical names:
(3z)-Hexenyl acetate

External chemical identifiers:
CID:CID_10820631

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Chemical structure information

SMILES:
CCCC/C=C\OC(=O)C

InChI:
InChI=1S/C8H14O2/c1-3-4-5-6-7-10-8(2)9/h6-7H,3-5H2,1-2H3/b7-6-

InChIKey:
YDZCHDQXPLJVBG-SREVYHEPSA-N

DeepSMILES:
CCCC/C=C\OC=O)C

Functional groups:
C/C=C\OC(C)=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: 2.414

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Chemical structure download