Summary

IMPPAT Phytochemical identifier: IMPHY017812

Phytochemical name: Geranyl linoleate

Synonymous chemical names:
geranyl linoleate

External chemical identifiers:
CID:91694960

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Chemical structure information

SMILES:
CCCCC/C=CC/C=CCCCCCCCC(=O)OC/C=C(/CCC=C(C)C)C

InChI:
InChI=1S/C28H48O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-28(29)30-25-24-27(4)22-20-21-26(2)3/h9-10,12-13,21,24H,5-8,11,14-20,22-23,25H2,1-4H3/b10-9-,13-12-,27-24+

InChIKey:
SDVRIIKZIMWDSJ-BUWFTCIHSA-N

DeepSMILES:
CCCCC/C=CC/C=CCCCCCCCC=O)OC/C=C/CCC=CC)C)))))C

Functional groups:
C/C=C(/C)C, C/C=CC, CC=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 acid esters

NP Classifier Biosynthetic pathway: Fatty acids, Terpenoids

NP Classifier Superclass: Monoterpenoids, Fatty esters

NP Classifier Class: Acyclic monoterpenoids, Wax monoesters

NP-Likeness score: 1.565

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Chemical structure download