Summary

IMPPAT Phytochemical identifier: IMPHY017632

Phytochemical name: Lavandulyl 3-methylbutyrate

Synonymous chemical names:
lavandulyl 3-methylbutyrate

External chemical identifiers:
CID:6429174

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Chemical structure information

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

InChI:
InChI=1S/C15H26O2/c1-11(2)7-8-14(13(5)6)10-17-15(16)9-12(3)4/h12,14H,1,5,7-10H2,2-4,6H3

InChIKey:
FXRBIJGTVLCHGJ-UHFFFAOYSA-N

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

Functional groups:
C=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: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Acyclic monoterpenoids

NP-Likeness score: 1.135

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Chemical structure download