Summary

IMPPAT Phytochemical identifier: IMPHY008406

Phytochemical name: 9Z,12Z-Octadecadienyl acetate

Synonymous chemical names:
linoleyl acetate

External chemical identifiers:
CID:21159087, ZINC:ZINC000059725370, SureChEMBL:SCHEMBL1302363

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Chemical structure information

SMILES:
CCCCC/C=CC/C=CCCCCCCCCOC(=O)C

InChI:
InChI=1S/C20H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-20(2)21/h7-8,10-11H,3-6,9,12-19H2,1-2H3/b8-7-,11-10-

InChIKey:
KFXARGMQYWECBV-NQLNTKRDSA-N

DeepSMILES:
CCCCC/C=CC/C=CCCCCCCCCOC=O)C

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

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty alcohol esters

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty esters

NP Classifier Class: Wax monoesters

NP-Likeness score: 1.103

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Chemical structure download