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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(CO)CC[C@](O6)(O5)[C@@H]5CC[C@@](C)(C[C@H](C)\C=C(/C)\C=C\[C@@H]3O2)O5)O4)[C@H]1O

InChIKey

InChIKey=KJWMGLBVDNMNQW-KJEHWLPMSA-N

Formula

C47H70O15

Mass

875.062

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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 - 3-furanone - Oxane - Oxolane - Carboxylic acid ester - Hemiacetal - Ketone - Lactone - Secondary alcohol - Monocarboxylic acid or derivatives - Acetal - Ether - Dialkyl ether - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Organooxygen compound - Aldehyde - Alcohol - Organic oxide - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Primary alcohol - 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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