Compound Identification
SMILES
C[C@H](O)C(=O)\C=C\C=C\C(=O)O[C@@H]1C[C@H]2O[C@@H]3C=C(C)CC[C@]3(COC(=O)\C=C(/C)CCO)[C@]1(C)[C@]21CO1
InChIKey
InChIKey=RGJVNHSOLPQTMH-RJRVNZOPSA-N
Formula
C29H38O9
Mass
530.614
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
Fatty alcohols Fatty acid esters Oxepanes Acyloins Dicarboxylic acids and derivatives Oxanes Enones Enoate esters Acryloyl compounds Alpha-hydroxy ketones Secondary alcohols Epoxides Dialkyl ethers Oxacyclic compounds Hydrocarbon derivatives Primary alcohols Organic oxides
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Trichothecene skeleton - Fatty alcohol - Fatty acid ester - Oxepane - Acyloin - Dicarboxylic acid or derivatives - Fatty acyl - Oxane - Acryloyl-group - Alpha-hydroxy ketone - Enone - Alpha,beta-unsaturated ketone - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Secondary alcohol - Ketone - Ether - Oxirane - Organoheterocyclic compound - Oxacycle - Dialkyl ether - Carboxylic acid derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Primary alcohol - Alcohol - Organooxygen compound - 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