Summary

IMPPAT Phytochemical identifier: IMPHY016721

Phytochemical name: Linalyl valerate

Synonymous chemical names:
linalyl valerate

External chemical identifiers:
CID:112045, FDASRS:HA76KNF2JB, SureChEMBL:SCHEMBL309378

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Chemical structure information

SMILES:
CCCCC(=O)OC(CCC=C(C)C)(C=C)C

InChI:
InChI=1S/C15H26O2/c1-6-8-11-14(16)17-15(5,7-2)12-9-10-13(3)4/h7,10H,2,6,8-9,11-12H2,1,3-5H3

InChIKey:
BYTYEUINJPKZIB-UHFFFAOYSA-N

DeepSMILES:
CCCCC=O)OCCCC=CC)C)))))C=C))C

Functional groups:
C=CC, 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: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Acyclic monoterpenoids

NP-Likeness score: 1.797

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Chemical structure download