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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)OCC(=O)C2=CC=CC=C2)O4)[C@@H]1O

InChIKey

InChIKey=BECPTZLQOOKGAM-DFZLOOPWSA-N

Formula

C55H74O17

Mass

1007.18

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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

Aromatic heteropolycyclic compounds

Substituents

Pectenotoxin fragment - Alkyl-phenylketone - Phenylketone - Aryl ketone - Aryl alkyl ketone - Benzoyl - Alpha-acyloxy ketone - Oxepane - Ketal - Dicarboxylic acid or derivatives - Benzenoid - Meta-dioxane - Oxane - 3-furanone - Monocyclic benzene moiety - Oxolane - Carboxylic acid ester - Ketone - Hemiacetal - Secondary alcohol - Lactone - Acetal - Carboxylic acid derivative - Oxacycle - Dialkyl ether - Organoheterocyclic compound - Ether - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Alcohol - Aldehyde - Organic oxide - Organooxygen compound - Aromatic 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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