Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID018262

Phytochemical name: Methyl undec-10-enoate

Synonymous chemical names:
Methyl undec-10-enoate

External chemical identifiers:
CID:CID_8138, ChEMBL:CHEMBL1591973, ChEBI:CHEBI:87493, ZINC:ZINC000001591830, FDASRS:RWN4DY6S6T, SureChEMBL:SCHEMBL196188, Molport-000-712-098

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Chemical structure information

SMILES:
C=CCCCCCCCCC(=O)OC

InChI:
InChI=1S/C12H22O2/c1-3-4-5-6-7-8-9-10-11-12(13)14-2/h3H,1,4-11H2,2H3

InChIKey:
KISVAASFGZJBCY-UHFFFAOYSA-N

DeepSMILES:
C=CCCCCCCCCC=O)OC

Functional groups:
C=CC, COC(C)=O

Link to spectral information:
MSBNK-Fac_Eng_Univ_Tokyo-JP005379

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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: 0.806

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Chemical structure download