Compound Identification
SMILES
C[C@@H]1C[C@@H]2O[C@@H]3C[C@H](O)[C@]4(C)O[C@@H]5CC[C@@H]6O[C@](O)(CO)CC[C@@]6(C)O[C@@]5(C)C[C@H]4O[C@H]3C[C@H]2O[C@H]2C[C@H]3O[C@H]4C\C=C/C[C@H]5O[C@H]6C=C[C@H]7O[C@H]8C[C@H]9OCC[C@H](O)C[C@@H]9O[C@@H]8C[C@@H]7O[C@@H]6C\C=C/[C@@H]5O[C@@H]4C[C@@H](O)[C@]3(C)O[C@@H]2C1
InChIKey
InChIKey=WFCQOYJANLJDGJ-AWRGGPNBSA-N
Formula
C62H92O19
Mass
1141.399
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
- Class Ciguatera toxins
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Ciguatera toxins
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Ciguatera toxins
Alternative Parents
Oxepanes Oxanes Monosaccharides Secondary alcohols Hemiacetals Polyols Oxacyclic compounds Dialkyl ethers Primary alcohols Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Ciguatera toxin fragment - Oxepane - Monosaccharide - Oxane - Hemiacetal - Secondary alcohol - Polyol - Organoheterocyclic compound - Oxacycle - Ether - Dialkyl ether - Organooxygen compound - Hydrocarbon derivative - Alcohol - Organic oxygen compound - Primary alcohol - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as ciguatera toxins. These are lipid-soluble polyether compounds consisting of 13 to 14 rings fused by ether linkages into a most rigid ladder-like structure.
External Descriptors
Not available