Structure Information
Structure

Compound Identification

SMILES

C[C@@H](O)[C@H](O)\C=C\C=C/C(=O)O[C@@H]1C[C@H]2O[C@@H]3C=C(C)[C@@H](O)C[C@]3(COC(=O)\C=C(/C)CCO)[C@]1(C)[C@]21CO1

InChIKey

InChIKey=NMFNSDQCZFJNKN-XCVHFJAXSA-N

Formula

C29H40O10

Mass

548.629

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