Structure Information
Structure

Compound Identification

SMILES

[H]/C1=C([H])/C(=O)O[C@]2([H])C[C@@]3([H])O[C@]4([H])[C@]5([H])O[C@]5(C)CC[C@]4(COC(=O)[C@]4([H])O[C@@]44CCO[C@]5(\C([H])=C\1/[H])[C@@]([H])(O)C(=O)O[C@]45[H])[C@]2(C)[C@@]31CO1

InChIKey

InChIKey=LANVEQVSXWXQLN-FKONAVKBSA-N

Formula

C29H32O12

Mass

572.563

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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 - Tricarboxylic acid or derivatives - Oxepane - Gamma butyrolactone - Oxane - Pyran - Furan - Alpha,beta-unsaturated carboxylic ester - Tetrahydrofuran - Enoate ester - Lactone - Carboxylic acid ester - Secondary alcohol - Organoheterocyclic compound - Oxacycle - Ether - Oxirane - Dialkyl ether - Carboxylic acid derivative - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alcohol - 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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