Summary

IMPPAT Phytochemical identifier: IMPHY010784

Phytochemical name: Trans-dehydromatricaria ester

Synonymous chemical names:
trans-dehydromatricaria ester

Chemical structure information

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

InChI:
InChI=1S/C11H8O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h9-10H,1-2H3/b10-9+

InChIKey:
LBAVIXQTLKRIGP-MDZDMXLPSA-N

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

Functional groups:
CC#CC#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: Hydrocarbons

NP-Likeness score: 2.654

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Chemical structure download