Structure Information
Structure

Compound Identification

SMILES

CC(O)C1CCCCC(=O)O[C@@H]2C[C@H]3OC4C=C(C)[C@H](O)C[C@]4(COC(=O)C4OC4(C)C(O)CO1)[C@]2(C)[C@@]31CO1

InChIKey

InChIKey=GUBFKNDROVCUHE-QNNNYJOTSA-N

Formula

C29H42O11

Mass

566.644

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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 - Oxepane - Dicarboxylic acid or derivatives - Oxane - Carboxylic acid ester - Lactone - Secondary alcohol - Oxacycle - Ether - Oxirane - Dialkyl ether - Carboxylic acid derivative - Organoheterocyclic compound - Organooxygen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - 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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