Compound Identification
SMILES
CC[C@@H]1C\C=C(/C)\C=C(C)\[C@H](OC2OC(C)(C)[C@@H](OC(=O)C(C)C)[C@H](O)[C@@H]2O)[C@@H](CC)\C=C(C)\[C@@H](O)C\C=C\C=C(CO[C@@H]2O[C@H](C)[C@@H](OC(=O)C3=C(CC)C(Cl)=C(O)C(Cl)=C3O)[C@H](O)[C@@H]2OC)\C(=O)O1
InChIKey
InChIKey=HCABICYPGNDVQK-LEFDKFANSA-N
Formula
C52H74Cl2O17
Mass
1042.05
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
- Class Macrolides and analogues
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Macrolides and analogues
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Macrolides and analogues
Alternative Parents
p-Hydroxybenzoic acid alkyl esters o-Hydroxybenzoic acid esters O-glycosyl compounds 3-halobenzoic acids and derivatives Salicylic acid and derivatives Tricarboxylic acids and derivatives Benzoyl derivatives Dichlorobenzenes O-chlorophenols P-chlorophenols Resorcinols Aryl chlorides Monosaccharides Oxanes Enoate esters Vinylogous acids Secondary alcohols Lactones Acetals Dialkyl ethers Oxacyclic compounds Organic oxides Hydrocarbon derivatives Organochlorides Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Macrolide - P-hydroxybenzoic acid alkyl ester - P-hydroxybenzoic acid ester - O-hydroxybenzoic acid ester - Glycosyl compound - Dihydroxybenzoic acid - O-glycosyl compound - Benzoate ester - Salicylic acid or derivatives - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Tricarboxylic acid or derivatives - Benzoic acid or derivatives - Benzoyl - 1,3-dichlorobenzene - 4-halophenol - 2-halophenol - Resorcinol - 2-chlorophenol - 4-chlorophenol - Chlorobenzene - Halobenzene - Phenol - Aryl halide - Oxane - Monosaccharide - Monocyclic benzene moiety - Benzenoid - Aryl chloride - Vinylogous acid - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Lactone - Secondary alcohol - Ether - Dialkyl ether - Acetal - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Alcohol - Carbonyl group - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organooxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as macrolides and analogues. These are organic compounds containing a lactone ring of at least twelve members.
External Descriptors
Not available