Summary

IMPPAT Phytochemical identifier: IMPHY016716

Phytochemical name: Lavandulyl isobutyrate

Synonymous chemical names:
lavandulyl isobutyrate

External chemical identifiers:
CID:527270

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Chemical structure information

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

InChI:
InChI=1S/C14H24O2/c1-10(2)7-8-13(11(3)4)9-16-14(15)12(5)6/h7,12-13H,3,8-9H2,1-2,4-6H3

InChIKey:
HPBLXFPAJRUZKY-UHFFFAOYSA-N

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

Functional groups:
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: Prenol lipids

ClassyFire Subclass: Monoterpenoids

NP Classifier Biosynthetic pathway: Fatty acids, Terpenoids

NP Classifier Superclass: Fatty esters

NP Classifier Class: Wax monoesters

NP-Likeness score: 1.845

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Chemical structure download