Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID013675

Phytochemical name: Ethyl (Z)-4,7-octadienoate

Synonymous chemical names:
et ester-(z)-4,7-octadienoic acid

External chemical identifiers:
CID:CID_21159448, ZINC:ZINC000038633280, FDASRS:VD2YQW659E, SureChEMBL:SCHEMBL18339360

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Chemical structure information

SMILES:
CCOC(=O)CC/C=C\CC=C

InChI:
InChI=1S/C10H16O2/c1-3-5-6-7-8-9-10(11)12-4-2/h3,6-7H,1,4-5,8-9H2,2H3/b7-6-

InChIKey:
LNOWXPKCCJROHI-SREVYHEPSA-N

DeepSMILES:
CCOC=O)CC/C=C\CC=C

Functional groups:
COC(C)=O, C/C=C\C, C=CC

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty acid esters

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty esters

NP Classifier Class: Wax monoesters

NP-Likeness score: 1.664

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Chemical structure download