Structure Information
Structure

Compound Identification

SMILES

[Na+].[Na+].C[C@H]1CC[C@]2(C)O[C@]3(C)CCC4OC5CC6OC7CC(OS([O-])(=O)=O)[C@@](C)(CCCOS([O-])(=O)=O)OC7CC6OC5CC4OC3CC2OC2CC3OC4CC5OC(C(=C)CC5O[C@]4(C)C(O)C3OC12)[C@](C)(O)\C=C\[C@H](CC=C)C(O)=O

InChIKey

InChIKey=JOJWPVJAXRAZKR-UDMKFLBYSA-L

Formula

C56H82Na2O23S2

Mass

1233.35

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Ciguatera toxins

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Ciguatera toxins

Alternative Parents

Molecular Framework

Aliphatic heteropolycyclic compounds

Substituents

Ciguatera toxin fragment - Medium-chain fatty acid - Hydroxy fatty acid - Oxepane - Monosaccharide - Oxane - Sulfuric acid monoester - Sulfate-ester - Unsaturated fatty acid - Alkyl sulfate - Sulfuric acid ester - Fatty acid - Fatty acyl - Tertiary alcohol - Organic sulfuric acid or derivatives - Secondary alcohol - Oxacycle - Carboxylic acid - Carboxylic acid derivative - Organic alkali metal salt - Ether - Organoheterocyclic compound - Dialkyl ether - Monocarboxylic acid or derivatives - Carbonyl group - Organic sodium salt - Alcohol - Organic oxygen compound - Organooxygen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Organic cation - Aliphatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as ciguatera toxins. These are lipid-soluble polyether compounds consisting of 13 to 14 rings fused by ether linkages into a most rigid ladder-like structure.

External Descriptors

Not available

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