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Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

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

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

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