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Structure Information
Structure

Compound Identification

SMILES

C[C@H]1CC[C@]2(C)O[C@]3(C)CC[C@@H]4O[C@@H]5C[C@@H]6O[C@@H]7C[C@H](OS(O)(=O)=O)[C@@](C)(CCOS(O)(=O)=O)O[C@H]7C[C@H]6O[C@H]5C[C@H]4O[C@H]3C[C@H]2O[C@H]2C[C@H]3O[C@H]4C[C@H](O)[C@H](OS(O)(=O)=O)O[C@]4(C)[C@H](O)[C@@H]3O[C@H]12

InChIKey

InChIKey=KDKLXXHXBCXTCP-WIASKUDTSA-N

Formula

C42H66O24S3

Mass

1051.15

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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 - Monosaccharide sulfate - Oxepane - Monosaccharide - Oxane - Sulfuric acid monoester - Sulfate-ester - Alkyl sulfate - Sulfuric acid ester - Organic sulfuric acid or derivatives - Secondary alcohol - Dialkyl ether - Ether - Organoheterocyclic compound - Oxacycle - Organic oxygen compound - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Alcohol - 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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