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Structure Information
Structure

Compound Identification

SMILES

C[C@@H]1CC2OC3CC4OC(=O)C=C(C)C4O[C@@]3(C)CC2OC2CC[C@@]3(C)O[C@@]4(C)CC5OC6CC7O[C@@]8(C)C(O)CC(CC(=C)CO)OC8CC7OC6\C=C/C[C@@]5(C)OC4CC3OC12

InChIKey

InChIKey=BKMHDYJRAAJTAD-VPDXYFDSSA-N

Formula

C50H72O14

Mass

897.112

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