Compound Identification
SMILES
CC1CC(=O)C(CC(O)=O)[C@H]1C(C(=O)C(=O)NC1=C(Cl)C=CC(Cl)=C1)[N+]([O-])=O
InChIKey
InChIKey=ZCSJDMLHTYMQPU-MXIJQUQJSA-N
Formula
C17H16Cl2N2O7
Mass
431.22
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
-
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 Anilides Dichlorobenzenes N-arylamides Aryl chlorides Fatty amides Secondary carboxylic acid amides C-nitro compounds Cyclic ketones Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Carboxylic acids Monocarboxylic acids and derivatives Organic salts Organic oxides Organochlorides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Aromatic monoterpenoid - Monocyclic monoterpenoid - 11-noriridane monoterpenoid - Anilide - N-arylamide - 1,4-dichlorobenzene - Chlorobenzene - Halobenzene - Fatty acyl - Aryl chloride - Fatty amide - Benzenoid - Aryl halide - Monocyclic benzene moiety - Carboxamide group - Cyclic ketone - C-nitro compound - Secondary carboxylic acid amide - Ketone - Organic nitro compound - Carboxylic acid derivative - Carboxylic acid - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Organic oxoazanium - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organochloride - Organic salt - Organohalogen compound - Organic cation - 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