Structure Information
Structure

Compound Identification

SMILES

CC1OC2OC1C=CC=CC(=O)OC1CC3OC4C=C(C)CCC4(COC(=O)C=C(C)C2O)C1(C)C31CO1

InChIKey

InChIKey=MCGWYAODOJPYQT-UHFFFAOYSA-N

Formula

C29H36O9

Mass

528.598

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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 - Meta-dioxolane - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Secondary alcohol - Lactone - Carboxylic acid ester - Oxacycle - Acetal - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Oxirane - Dialkyl ether - Alcohol - Organic oxygen compound - Organic oxide - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - 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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