Summary

IMPPAT Phytochemical identifier: IMPHY003924

Phytochemical name: 2-Decene-4,6-diynoic acid, methyl ester, (Z)-

Synonymous chemical names:
cis-dehydromatricaria ester

External chemical identifiers:
CID:643924

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Chemical structure information

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

InChI:
InChI=1S/C11H12O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h9-10H,3-4H2,1-2H3/b10-9-

InChIKey:
LWONXTYZMYZRSU-KTKRTIGZSA-N

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

Functional groups:
CC#CC#C/C=CC(=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: 2.429

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Chemical structure download