Structure Information
Structure

Compound Identification

SMILES

CC1=CC2OC3CC4OC(=O)\C=C\CCC56OCC\C(=C\C(=O)OCC2(CC1)C4(C)C31CO1)C5OC(O)C6O

InChIKey

InChIKey=LWUKARFJDWIVFQ-BPCZHSGMSA-N

Formula

C29H36O10

Mass

544.597

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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 - Furopyran - Oxepane - Dicarboxylic acid or derivatives - Monosaccharide - Oxane - Pyran - Oxolane - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Furan - Secondary alcohol - Carboxylic acid ester - Lactone - Hemiacetal - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Dialkyl ether - Ether - Oxirane - Hydrocarbon derivative - Alcohol - Organic oxygen compound - Organic oxide - Organooxygen compound - Carbonyl group - 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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