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Structure Information
Structure

Compound Identification

SMILES

[Na+].C[C@@H]1C[C@@H]2O[C@@H]3C[C@@H]4OC(=O)C=C(C)[C@H]4O[C@@]3(C)C[C@H]2O[C@H]2CC[C@@]3(C)O[C@@]4(C)C[C@H]5O[C@H]6C[C@H]7O[C@@]8(C)[C@@H](O)C[C@@H](CC(=C)C(=O)NCCS([O-])(=O)=O)O[C@@H]8C[C@@H]7O[C@@H]6\C=C/C[C@]5(C)O[C@@H]4C[C@@H]3O[C@H]12

InChIKey

InChIKey=AIUZUFIAZRRLRS-IYZGTEOLSA-M

Formula

C52H74NNaO17S

Mass

1040.2

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Brevetoxins and derivatives

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Brevetoxins and derivatives

Alternative Parents

Molecular Framework

Aliphatic heteropolycyclic compounds

Substituents

Brevetoxin type b fragment - Dihydropyranone - Oxepane - Fatty amide - Monosaccharide - Oxane - Pyran - Fatty acyl - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Organosulfonic acid - Alkanesulfonic acid - Sulfonyl - Carboxamide group - Carboxylic acid ester - Lactone - Secondary alcohol - Secondary carboxylic acid amide - Organoheterocyclic compound - Organic alkali metal salt - Oxacycle - Carboxylic acid derivative - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Organic salt - Organic sodium salt - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Alcohol - Organic cation - Aliphatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as brevetoxins and derivatives. These are a group of cyclic polyether compounds produced naturally by a species of dinoflagellate known as Karenia brevis. They contain a Pentaoxapentacycloheptacos- 23-en-7-one derivative (type a brevetoxin) or a pentaoxapentacyclotetracosa- 8,23-dien-7-one derivative (type b brevetoxin).

External Descriptors

Not available

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