Summary

IMPPAT Phytochemical identifier: IMPHY017633

Phytochemical name: Lavandulyl propionate

Synonymous chemical names:
lavandulyl propionate

External chemical identifiers:
CID:6429175

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Chemical structure information

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

InChI:
InChI=1S/C13H22O2/c1-6-13(14)15-9-12(11(4)5)8-7-10(2)3/h12H,2,4,6-9H2,1,3,5H3

InChIKey:
MUZPKOFBDLINTJ-UHFFFAOYSA-N

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

Functional groups:
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: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP-Likeness score: 1.15

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Chemical structure download