Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID000739

Phytochemical name: Lavandulyl 2-methyl butanoate

Synonymous chemical names:
lavandulyl-2-methyl butanoate, lavandulyl 2-methyl butanoate

External chemical identifiers:
CID:CID_91746482

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Chemical structure information

SMILES:
CCC(C(=O)OCC(C(=C)CC)CC=C(C)C)C

InChI:
InChI=1S/C16H28O2/c1-7-13(5)15(10-9-12(3)4)11-18-16(17)14(6)8-2/h9,14-15H,5,7-8,10-11H2,1-4,6H3

InChIKey:
WKOIIBFHNHYDRV-UHFFFAOYSA-N

DeepSMILES:
CCCC=O)OCCC=C)CC)))CC=CC)C))))))))C

Functional groups:
COC(C)=O, C=C(C)C, CC=C(C)C

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Monoterpenoids

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty esters

NP Classifier Class: Wax monoesters

NP-Likeness score: 1.589

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Chemical structure download