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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
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Class
Prenol lipids
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Subclass
Sesquiterpenoids
- Level 5 Trichothecenes
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Subclass
Sesquiterpenoids
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Class
Prenol lipids
-
Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Prenol lipids
Subclass
Sesquiterpenoids
Intermediate Tree Nodes
Not available
Direct Parent
Trichothecenes
Alternative Parents
Macrolides and analogues Tricarboxylic acids and derivatives Furopyrans Oxepanes Oxanes Gamma butyrolactones Pyrans Tetrahydrofurans Furans Enoate esters Secondary alcohols Oxacyclic compounds Epoxides Dialkyl ethers Carbonyl compounds Organic oxides Hydrocarbon derivatives
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