Summary

IMPPAT Phytochemical identifier: IMPHY013665

Phytochemical name: Methyl (e)-11-methoxy-9-oxo-10-nonadecenoate

Synonymous chemical names:
methyl-(e)-11-methoxy-9-oxo-10-nonadecenoate

External chemical identifiers:
CID:129847920, ZINC:ZINC000238737248

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Chemical structure information

SMILES:
CCCCCCCC/C(=CC(=O)CCCCCCCC(=O)OC)/OC

InChI:
InChI=1S/C21H38O4/c1-4-5-6-7-10-13-16-20(24-2)18-19(22)15-12-9-8-11-14-17-21(23)25-3/h18H,4-17H2,1-3H3/b20-18+

InChIKey:
ZMUBBDGDFMAIMP-CZIZESTLSA-N

DeepSMILES:
CCCCCCCC/C=CC=O)CCCCCCCC=O)OC))))))))))))/OC

Functional groups:
CO/C(C)=C/C(C)=O, 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: 0.833

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Chemical structure download