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)C(O)=O)OC8CC7OC6\C=C/C[C@@]5(C)OC4CC3OC12
InChIKey
InChIKey=YEWFXZWVJHXLMN-HWIQRONISA-N
Formula
C50H70O15
Mass
911.095
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Phenylpropanoids and polyketides
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
Oxepanes Dihydropyranones Oxanes Monosaccharides Dicarboxylic acids and derivatives Enoate esters Secondary alcohols Lactones Oxacyclic compounds Dialkyl ethers Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Brevetoxin type b fragment - Dihydropyranone - Oxepane - Dicarboxylic acid or derivatives - Monosaccharide - Oxane - Pyran - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Lactone - Carboxylic acid ester - Secondary alcohol - Organoheterocyclic compound - Oxacycle - Ether - Dialkyl ether - Carboxylic acid - Carboxylic acid derivative - Alcohol - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen 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