Structure Information
Structure

Compound Identification

SMILES

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(CO)CS(=O)C[C@H](N)C(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=JQZZSWFXESQFCL-NZNVUQSTSA-N

Formula

C53H79NO17S

Mass

1034.27

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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 - Alpha-amino acid - Alpha-amino acid or derivatives - L-alpha-amino acid - Oxepane - Dihydropyranone - Oxane - Monosaccharide - Pyran - Dicarboxylic acid or derivatives - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Amino acid - Sulfoxide - Secondary alcohol - Amino acid or derivatives - Lactone - Carboxylic acid ester - Carboxylic acid derivative - Oxacycle - Carboxylic acid - Dialkyl ether - Organoheterocyclic compound - Sulfinyl compound - Ether - Organic oxide - Amine - Organic oxygen compound - Organic nitrogen compound - Alcohol - Carbonyl group - Hydrocarbon derivative - Primary amine - Primary aliphatic amine - Primary alcohol - Organonitrogen compound - Organooxygen compound - Organosulfur compound - 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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