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Structure Information
Structure

Compound Identification

SMILES

C[C@H]1CC2O[C@]3(C)C[C@H](C)CC4OC(=O)C[C@H]4O[C@H]3C[C@H]2O[C@H]2C\C=C/C[C@H]3O[C@H]4CCC[C@H]5O[C@H]6C[C@H]7O[C@H](CC(=C)C=O)C[C@H](O)C7OC6C[C@]5(C)OC4\C=C/CC3OC12

InChIKey

InChIKey=MGVIMUPHKPHTKF-UTFFIVQUSA-N

Formula

C49H70O13

Mass

867.086

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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 a fragment - Oxepane - Gamma butyrolactone - Monosaccharide - Oxane - Alpha,beta-unsaturated aldehyde - Enal - Oxolane - Carboxylic acid ester - Lactone - Secondary alcohol - Monocarboxylic acid or derivatives - Oxacycle - Ether - Dialkyl ether - Carboxylic acid derivative - Organoheterocyclic compound - Aldehyde - Hydrocarbon derivative - Alcohol - Carbonyl group - Organic oxide - Organic oxygen compound - Organooxygen 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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