Compound Identification
SMILES
CC(=O)OCC12CC(=O)C(C)=CC1OC1C(=O)C(OC(=O)CCl)C2(C)C11CO1
InChIKey
InChIKey=YJWDODRMMPONGJ-UHFFFAOYSA-N
Formula
C19H21ClO8
Mass
412.82
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
-
Subclass
Sesquiterpenoids
- Level 5 Trichothecenes
-
Subclass
Sesquiterpenoids
-
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
Oxepanes Cyclohexenones Alpha-acyloxy ketones Oxanes Dicarboxylic acids and derivatives Alpha-halocarboxylic acid derivatives Carboxylic acid esters Oxacyclic compounds Epoxides Dialkyl ethers Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Trichothecene skeleton - Cyclohexenone - Alpha-acyloxy ketone - Oxepane - Dicarboxylic acid or derivatives - Oxane - Alpha-halocarboxylic acid derivative - Alpha-halocarboxylic acid or derivatives - Carboxylic acid ester - Ketone - Cyclic ketone - Carboxylic acid derivative - Dialkyl ether - Oxacycle - Oxirane - Ether - Organoheterocyclic compound - Alkyl halide - Alkyl chloride - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Carbonyl group - Organohalogen compound - Organochloride - 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