Structure Information
Structure

Compound Identification

SMILES

OC(=O)\C=C\C(O)=O.OCC(=O)C1=CCCC2CC[C@H]1N2

InChIKey

InChIKey=DWDHMQIHMNKTOX-JZJYLFOCSA-N

Formula

C14H19NO6

Mass

297.307

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Alkaloids and derivatives

Class

Anatoxins

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Anatoxins

Alternative Parents

Molecular Framework

Not available

Substituents

Anatoxin skeleton - Azepine - Beta-aminoketone - Dicarboxylic acid or derivatives - Fatty acyl - Fatty acid - Unsaturated fatty acid - Alpha-hydroxy ketone - Pyrrolidine - Ketone - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Azacycle - Organoheterocyclic compound - Secondary amine - Organic nitrogen compound - Alcohol - Carbonyl group - Hydrocarbon derivative - Amine - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Primary alcohol - Organic oxide - Aliphatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as anatoxins. These are organic compounds containing or derived from anatoxin, homoanatoxin or other analogues. Anatoxins constitute a class of potent neurotoxic alkaloids.

External Descriptors

Not available

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