Structure Information
Structure

Compound Identification

SMILES

CC(=O)OC[C@]12[C@H](O[C@@H]3[C@H](O)[C@@H](OC(C)=O)[C@@]1(C)[C@]31CO1)C=C(C)C(=O)[C@H]2OC(C)=O

InChIKey

InChIKey=JUSGAIUQHMLLGP-SHOZVTKSSA-N

Formula

C21H26O10

Mass

438.429

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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 - Tricarboxylic acid or derivatives - Cyclohexenone - Oxepane - Alpha-acyloxy ketone - Oxane - Cyclic alcohol - Carboxylic acid ester - Ketone - Cyclic ketone - Secondary alcohol - Carboxylic acid derivative - Dialkyl ether - Oxirane - Ether - Oxacycle - Organoheterocyclic compound - Carbonyl group - Alcohol - Hydrocarbon derivative - Organooxygen compound - Organic oxygen compound - Organic oxide - 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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