Structure Information
Structure

Compound Identification

SMILES

CC1=C[C@H]2O[C@@H]3[C@H](O)C[C@@](C)(C33CO3)[C@@]2(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)C1=O

InChIKey

InChIKey=YCMGNMAHGZOWGK-IAQISHLUSA-N

Formula

C21H30O11

Mass

458.46

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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 - Hexose monosaccharide - O-glycosyl compound - Glycosyl compound - Cyclohexenone - Oxepane - Oxane - Monosaccharide - Cyclic alcohol - Cyclic ketone - Secondary alcohol - Ketone - Oxacycle - Organoheterocyclic compound - Polyol - Ether - Oxirane - Dialkyl ether - Acetal - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Carbonyl group - 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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