Summary

IMPPAT Phytochemical identifier: IMPHY015840

Phytochemical name: Methyl nonanoate

Synonymous chemical names:
methyl nonanoate

External chemical identifiers:
CID:15606, ChEBI:44499, ZINC:ZINC000002039285, FDASRS:7XKD6QOH68, SureChEMBL:SCHEMBL309872, MolPort-001-787-814

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Chemical structure information

SMILES:
CCCCCCCCC(=O)OC

InChI:
InChI=1S/C10H20O2/c1-3-4-5-6-7-8-9-10(11)12-2/h3-9H2,1-2H3

InChIKey:
IJXHLVMUNBOGRR-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCC=O)OC

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 acid esters

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty esters

NP Classifier Class: Wax monoesters

NP-Likeness score: 0.401

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Chemical structure download