Structure Information
Structure

Compound Identification

SMILES

COC(=O)[C@H](NC(=O)[C@H](CC=C)\C=C\[C@@](C)(O)[C@H]1O[C@@H]2C[C@@H]3O[C@@H]4C[C@@H]5O[C@@H]6C[C@@H]7O[C@@H]8C[C@@H]9O[C@@H]%10C[C@@H]%11O[C@](C)(CCOS(O)(=O)=O)[C@H](C[C@H]%11O[C@H]%10C[C@H]9O[C@H]8CC[C@@]7(C)O[C@@]6(C)CC[C@H](C)[C@H]5O[C@H]4[C@@H](O)[C@@]3(C)O[C@H]2CC1=C)OS(O)(=O)=O)C1=CC=CC=C1

InChIKey

InChIKey=MQHOMEZKLDZROE-IBWFTHOQSA-N

Formula

C64H91NO24S2

Mass

1322.54

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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

Aromatic heteropolycyclic compounds

Substituents

Ciguatera toxin fragment - Alpha-amino acid ester - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Oxepane - Monocyclic benzene moiety - Fatty amide - Monosaccharide - N-acyl-amine - Oxane - Sulfuric acid monoester - Sulfate-ester - Alkyl sulfate - Sulfuric acid ester - Benzenoid - Fatty acyl - Methyl ester - Tertiary alcohol - Organic sulfuric acid or derivatives - Carboxylic acid ester - Carboxamide group - Secondary carboxylic acid amide - Secondary alcohol - Dialkyl ether - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Alcohol - Organic oxygen compound - Aromatic 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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