Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID018304

Phytochemical name: (6Z)-6,17-Octadecadienyl acetate

Synonymous chemical names:
(6Z)-6,17-Octadecadienyl acetate

Chemical structure information

SMILES:
C=CCCCCCCCCC/C=C\CCCCCOC(=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/h3,13-14H,1,4-12,15-19H2,2H3/b14-13-

InChIKey:
FZAPQDQLDZNXGM-YPKPFQOOSA-N

DeepSMILES:
C=CCCCCCCCCC/C=C\CCCCCOC=O)C

Functional groups:
C=CC, C/C=C\C, 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: 0.904

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Chemical structure download