Structure Information
Structure

Compound Identification

SMILES

CC(O)[C@H](O)\C=C\C=C\C(=O)OC1C[C@H]2O[C@@H]3C=C(C)CC[C@]3(CO)[C@]1(C)C21CO1

InChIKey

InChIKey=QFKRKMXPKBHGGO-XLHGJGPCSA-N

Formula

C23H32O7

Mass

420.502

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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 - Fatty alcohol - Fatty acid ester - Oxepane - Oxane - Fatty acyl - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Secondary alcohol - 1,2-diol - Carboxylic acid ester - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Dialkyl ether - Oxirane - Ether - Alcohol - Organic oxygen compound - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Primary alcohol - 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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