Summary

IMPPAT Phytochemical identifier: IMPHY004476

Phytochemical name: Matricaria ester

Synonymous chemical names:
matricaria ester

External chemical identifiers:
CID:5319573

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Chemical structure information

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

InChI:
InChI=1S/C11H10O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h3-4,9-10H,1-2H3/b4-3+,10-9+

InChIKey:
GXPDZHWFJLUFGY-SCPMJEMWSA-N

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

Functional groups:
C/C=C/C#CC#C/C=C/C(=O)OC

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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 acyls

NP Classifier Class: Fatty alcohols, Hydrocarbons

NP-Likeness score: 2.329

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Chemical structure download