Structure Information
Structure

Compound Identification

SMILES

C[C@H]1C([C@H]2O[C@@H]3[C@H](O)C[C@@](C)(C33CO3)[C@@]2(CO)[C@@H](O)C1=O)S(O)(=O)=O

InChIKey

InChIKey=BCALIZOYQCGKBB-PAKODGBHSA-N

Formula

C15H22O9S

Mass

378.39

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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 - Oxepane - Oxane - Cyclic alcohol - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Alkanesulfonic acid - Sulfonyl - Ketone - Secondary alcohol - Cyclic ketone - Ether - Oxirane - Dialkyl ether - Oxacycle - Organoheterocyclic compound - Primary alcohol - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Alcohol - Organic oxygen 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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