Compound Identification
SMILES
NC(=O)C1(CC1[C@@]1(C[C@@H](C[C@H]1COC1=CC=C(F)C=C1)S(=O)(=O)C1=C(Cl)C=C(F)C=C1)C(O)=O)C#N
InChIKey
InChIKey=OMXOIVDYOSZVDN-VELPVOGXSA-N
Formula
C24H21ClF2N2O6S
Mass
538.95
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
Monoterpenoids
- Level 5 Iridoids and derivatives
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Subclass
Monoterpenoids
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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
Monoterpenoids
Intermediate Tree Nodes
Not available
Direct Parent
Iridoids and derivatives
Alternative Parents
Aromatic monoterpenoids Monocyclic monoterpenoids Benzenesulfonyl compounds Phenoxy compounds Phenol ethers Alkyl aryl ethers Fluorobenzenes Chlorobenzenes Aryl chlorides Aryl fluorides Cyclopropanecarboxylic acids and derivatives Sulfones Primary carboxylic acid amides Nitriles Monocarboxylic acids and derivatives Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Aromatic monoterpenoid - Monocyclic monoterpenoid - 11-noriridane monoterpenoid - Benzenesulfonyl group - Phenoxy compound - Phenol ether - Alkyl aryl ether - Halobenzene - Fluorobenzene - Chlorobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Benzenoid - Monocyclic benzene moiety - Cyclopropanecarboxylic acid or derivatives - Sulfonyl - Sulfone - Carboxamide group - Primary carboxylic acid amide - Carboxylic acid derivative - Carboxylic acid - Ether - Nitrile - Monocarboxylic acid or derivatives - Carbonitrile - Organofluoride - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Carbonyl group - Organosulfur compound - Organic oxygen compound - Organochloride - Organohalogen compound - Cyanide - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as iridoids and derivatives. These are monoterpenes containing a skeleton structurally characterized by the presence of a cylopentane fused to a pyran ( forming a 4,7-dimethylcyclopenta[c]pyran), or a derivative where the pentane moiety is open.
External Descriptors
Not available