Structure Information
Structure

Compound Identification

SMILES

C[C@@H]1CCOC(=O)\C=C\C=C\C(=O)OC2C[C@H]3O[C@@H]4C=C(CO)CCC4(COC(=O)[C@H]1O)[C@]2(C)[C@]31CO1

InChIKey

InChIKey=CHWMTSYJQGXKSR-SFEQODINSA-N

Formula

C27H34O10

Mass

518.559

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Prenol lipids

Subclass

Sesquiterpenoids

Intermediate Tree Nodes

Not available

Direct Parent

Trichothecenes

Alternative Parents

Molecular Framework

Aliphatic heteropolycyclic compounds

Substituents

Trichothecene skeleton - Macrolide - Tricarboxylic acid or derivatives - Oxepane - Oxane - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Lactone - Secondary alcohol - Ether - Oxirane - Dialkyl ether - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Primary alcohol - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic oxygen compound - Alcohol - Carbonyl group - Aliphatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as trichothecenes. These are sesquiterpene mycotoxins structurally characterized by the presence of an epoxide ring and a benzopyran derivative with a variant number of hydroxyl, acetyl, or other substituents. The most important structural features causing the biological activities of trichothecenes are the 12,13-epoxy ring, the presence of hydroxyl or acetyl groups at appropriate positions on the trichothecene nucleus and the structure and position of the side-chain.

External Descriptors

Not available

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