Summary

IMPPAT Phytochemical identifier: IMPHY016667

Phytochemical name: Geranyl 2-methylbutyrate

Synonymous chemical names:
geranyl 2-methylbutyrate

External chemical identifiers:
CID:6437648, FDASRS:MRW7QH0M9I, SureChEMBL:SCHEMBL3504611

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Chemical structure information

SMILES:
CCC(C(=O)OC/C=C(/CCC=C(C)C)C)C

InChI:
InChI=1S/C15H26O2/c1-6-14(5)15(16)17-11-10-13(4)9-7-8-12(2)3/h8,10,14H,6-7,9,11H2,1-5H3/b13-10+

InChIKey:
PEQMAZJTEUEQJP-JLHYYAGUSA-N

DeepSMILES:
CCCC=O)OC/C=C/CCC=CC)C)))))C))))))C

Functional groups:
C/C=C(/C)C, 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 alcohol esters

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty esters

NP Classifier Class: Wax monoesters

NP-Likeness score: 1.951

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Chemical structure download