Summary

IMPPAT Phytochemical identifier: IMPHY016756

Phytochemical name: Methyl undecanoate

Synonymous chemical names:
methyl undecanoate

External chemical identifiers:
CID:15607, ChEBI:87527, ZINC:ZINC000002039284, FDASRS:K67YZ97W6C, SureChEMBL:SCHEMBL124223, MolPort-001-788-270

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Chemical structure information

SMILES:
CCCCCCCCCCC(=O)OC

InChI:
InChI=1S/C12H24O2/c1-3-4-5-6-7-8-9-10-11-12(13)14-2/h3-11H2,1-2H3

InChIKey:
XPQPWPZFBULGKT-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCC=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: 0.344

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Chemical structure download