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Structure Information
Structure

Compound Identification

SMILES

COC(=O)C(=C)C[C@@H]1C[C@H](O)[C@]2(C)O[C@@H]3C[C@@H]4O[C@@H]5C[C@]6(C)O[C@]7(C)CC[C@@H]8O[C@@H]9C[C@]%10(C)O[C@H]%11[C@H](C[C@H]%10O[C@H]9C[C@@H](C)[C@H]8O[C@H]7C[C@H]6O[C@@]5(C)C\C=C/[C@H]4O[C@H]3C[C@H]2O1)OC(=O)C=C%11C

InChIKey

InChIKey=FWBRXDZEXOQUJY-CVKMYWAZSA-N

Formula

C51H72O15

Mass

925.122

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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 - Fatty acid ester - Oxepane - Dicarboxylic acid or derivatives - Fatty acyl - Pyran - Oxane - Monosaccharide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Carboxylic acid ester - Secondary alcohol - Lactone - Carboxylic acid derivative - Dialkyl ether - Oxacycle - Ether - Organoheterocyclic compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Alcohol - 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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