Summary

IMPPAT Phytochemical identifier: IMPHY016787

Phytochemical name: 10-Undecenoic acid, octyl ester

Synonymous chemical names:
octyl 10-undecenoate

External chemical identifiers:
CID:534598, SureChEMBL:SCHEMBL3210069

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Chemical structure information

SMILES:
CCCCCCCCOC(=O)CCCCCCCCC=C

InChI:
InChI=1S/C19H36O2/c1-3-5-7-9-11-12-13-15-17-19(20)21-18-16-14-10-8-6-4-2/h3H,1,4-18H2,2H3

InChIKey:
PKLGTKSKHJFCIX-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCOC=O)CCCCCCCCC=C

Functional groups:
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: 0.553

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Chemical structure download