Compound Identification
SMILES
C[C@@H]1CCO[C@](O)([C@@H]2C[C@H]3OC(=O)[C@H](C)[C@@H]4CCC[C@@]5(CC[C@H](O5)[C@H](O)[C@@]5(C)CC(=O)[C@@H](O5)[C@H]5C[C@@]6(CC[C@@](O6)(O5)[C@H]5CC[C@](C)(C[C@@H](C)\C=C(/C)\C=C\[C@H]3O2)O5)C(O)=O)O4)[C@@H]1O
InChIKey
InChIKey=IJSPTHZVVHPQQN-MXQWDXSASA-N
Formula
C47H68O16
Mass
889.045
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Macrolides and analogues
- Subclass Pectenotoxins and derivatives
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Class
Macrolides and analogues
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Macrolides and analogues
Subclass
Pectenotoxins and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Pectenotoxins and derivatives
Alternative Parents
Oxepanes Ketals Oxanes 1,3-dioxanes Dicarboxylic acids and derivatives Furanones Oxolanes Secondary alcohols Carboxylic acid esters Lactones Ketones Hemiacetals Oxacyclic compounds Carboxylic acids Dialkyl ethers Aldehydes Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Pectenotoxin fragment - Ketal - Oxepane - Meta-dioxane - Dicarboxylic acid or derivatives - 3-furanone - Oxane - Oxolane - Carboxylic acid ester - Hemiacetal - Ketone - Lactone - Secondary alcohol - Acetal - Ether - Dialkyl ether - Carboxylic acid - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Aldehyde - Organooxygen compound - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as pectenotoxins and derivatives. These are a group of poly-ether-lactone toxins.
External Descriptors
Not available