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(=C)C[C@@H]5O[C@]4(C)[C@H](O[C@H]4O[C@@H](CO)[C@H](O)[C@H]4O)[C@@H]3O[C@H]12)[C@](C)(O)\C=C\C(=C)CC=C
InChIKey
InChIKey=QREPTZZYORIRMS-HBDXFKFNSA-N
Formula
C60H90O25S2
Mass
1275.48
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
O-glycosyl compounds Disaccharides Oxepanes Sulfuric acid monoesters Oxanes Alkyl sulfates Tertiary alcohols Oxolanes Secondary alcohols Oxacyclic compounds Dialkyl ethers Acetals Primary alcohols Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Ciguatera toxin fragment - Disaccharide - Glycosyl compound - O-glycosyl compound - Oxepane - Oxane - Sulfuric acid ester - Alkyl sulfate - Sulfate-ester - Sulfuric acid monoester - Organic sulfuric acid or derivatives - Tertiary alcohol - Oxolane - Secondary alcohol - Organoheterocyclic compound - Acetal - Oxacycle - Ether - Dialkyl ether - Alcohol - Organooxygen compound - Hydrocarbon derivative - Organic oxide - 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