Summary

IMPPAT Phytochemical identifier: IMPHY016778

Phytochemical name: Nonyl butyrate

Synonymous chemical names:
nonyl butyrate

External chemical identifiers:
CID:75836, SureChEMBL:SCHEMBL333278

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Chemical structure information

SMILES:
CCCCCCCCCOC(=O)CCC

InChI:
InChI=1S/C13H26O2/c1-3-5-6-7-8-9-10-12-15-13(14)11-4-2/h3-12H2,1-2H3

InChIKey:
RVNCBAPCNVAWOY-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCOC=O)CCC

Functional groups:
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 alcohol esters

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty esters

NP Classifier Class: Wax monoesters

NP-Likeness score: 0.286

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Chemical structure download