Compound Identification
SMILES
CC(CO)C[C@@H]1C[C@H](O)[C@@H]2O[C@@H]3C[C@]4(C)O[C@@H]5\C=C/C[C@@H]6O[C@@H]7[C@@H](C)C[C@@H]8O[C@]9(C)C[C@H](C)C[C@@H]%10OC(=O)CC%10OC9CC8OC7C\C=C/CC6OC5CCCC4OC3CC2O1
InChIKey
InChIKey=PVPNBDUOLQXPQM-YPFPQFCASA-N
Formula
C49H74O13
Mass
871.118
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 Oxanes Monosaccharides Gamma butyrolactones Oxolanes Secondary alcohols Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Brevetoxin type a fragment - Oxepane - Gamma butyrolactone - Monosaccharide - Oxane - Oxolane - Carboxylic acid ester - Lactone - Secondary alcohol - Oxacycle - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Carboxylic acid derivative - Organoheterocyclic compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Alcohol - Carbonyl group - Organic oxygen 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