Compound Identification
SMILES
C[C@H]1CC[C@]2(C)O[C@]3(C)CC[C@@H]4O[C@@H]5C[C@@H]6O[C@@H]7C[C@H](OS(O)(=O)=O)[C@@](C)(CCOS(O)(=O)=O)O[C@H]7C[C@H]6O[C@H]5C[C@H]4O[C@H]3C[C@H]2O[C@H]2C[C@H]3O[C@H]4C[C@H]5O[C@@H](C(=O)C[C@@H]5O[C@]4(C)[C@H](O)[C@@H]3O[C@H]12)[C@](C)(O)C=O
InChIKey
InChIKey=ZLWNPOVBOJWDOR-VUUUSHBRSA-N
Formula
C48H72O23S2
Mass
1081.2
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 Sulfuric acid monoesters Oxanes Monosaccharides Alkyl sulfates Tertiary alcohols Alpha-hydroxyaldehydes Secondary alcohols Cyclic ketones Oxacyclic compounds Dialkyl ethers Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Ciguatera toxin fragment - Oxepane - Monosaccharide - Oxane - Sulfuric acid monoester - Sulfuric acid ester - Alkyl sulfate - Sulfate-ester - Organic sulfuric acid or derivatives - Alpha-hydroxyaldehyde - Tertiary alcohol - Ketone - Secondary alcohol - Cyclic ketone - Oxacycle - Ether - Dialkyl ether - Organoheterocyclic compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Alcohol - Organic oxygen compound - Carbonyl group - Aldehyde - 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