Summary

IMPPAT Phytochemical identifier: IMPHY017882

Phytochemical name: Lavandulyl isobutanoate

Synonymous chemical names:
lavandulyl isobutanoate

External chemical identifiers:
CID:91752854

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Chemical structure information

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

InChI:
InChI=1S/C14H26O2/c1-10(2)7-8-13(11(3)4)9-16-14(15)12(5)6/h8,10-12H,7,9H2,1-6H3/b13-8-

InChIKey:
ZEOZKJMELMMXOU-JYRVWZFOSA-N

DeepSMILES:
CCC/C=CCC)C))/COC=O)CC)C))))))))C

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

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic acids and derivatives

ClassyFire Class: Carboxylic acids and derivatives

ClassyFire Subclass: Carboxylic acid derivatives

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty esters

NP Classifier Class: Wax monoesters

NP-Likeness score: 0.979

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Chemical structure download