Summary

IMPPAT Phytochemical identifier: IMPHY016785

Phytochemical name: Octadecadienyl acetate

Synonymous chemical names:
octadecadienyl acetate*

External chemical identifiers:
CID:22292269, SureChEMBL:SCHEMBL593500

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Chemical structure information

SMILES:
CCCCCCCCCCCCCC/C=C/C=C/OC(=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/h16-19H,3-15H2,1-2H3/b17-16+,19-18+

InChIKey:
CWSZPAIDAYBSIW-NBRVCOCJSA-N

DeepSMILES:
CCCCCCCCCCCCCC/C=C/C=C/OC=O)C

Functional groups:
C/C=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 acyls

NP-Likeness score: 1.401

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Chemical structure download