Compound Identification
SMILES
C[C@@H]1C[C@@]23OC(=O)C(OC(=O)[C@]4(C)[C@H](CCCC\C=C\[C@@H]2C=C1C(O)=O)C=C[C@H]1[C@H](CCC[C@H]41)O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@@H](O)[C@H](OC(=O)c4c(O)ccc(Cl)c4C)[C@@H](C)O2)[C@H](O)[C@H]1O)=C3O
InChIKey
InChIKey=GDKOCPOPNXYMKU-RXSKLJAHSA-N
Formula
C49H61ClO17
Mass
957.46
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
Tetracarboxylic acids and derivatives o-Hydroxybenzoic acid esters Disaccharides O-glycosyl compounds 3-halobenzoic acids and derivatives Salicylic acid and derivatives Benzoyl derivatives Meta cresols P-chlorophenols 1-hydroxy-2-unsubstituted benzenoids Chlorobenzenes Toluenes Oxanes Butenolides Aryl chlorides Vinylogous acids Enoate esters Lactones Secondary alcohols Oxacyclic compounds Carboxylic acids Acetals Hydrocarbon derivatives Carbonyl compounds Organic oxides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Macrolide - Tetracarboxylic acid or derivatives - O-hydroxybenzoic acid ester - Disaccharide - Glycosyl compound - O-glycosyl compound - Benzoate ester - Salicylic acid or derivatives - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - Benzoyl - 4-halophenol - 4-chlorophenol - M-cresol - Chlorobenzene - Toluene - 1-hydroxy-2-unsubstituted benzenoid - Halobenzene - Phenol - Benzenoid - Aryl halide - Monocyclic benzene moiety - Aryl chloride - 2-furanone - Oxane - Enoate ester - Dihydrofuran - Alpha,beta-unsaturated carboxylic ester - Vinylogous acid - Lactone - Secondary alcohol - Carboxylic acid ester - Organoheterocyclic compound - Oxacycle - Acetal - Carboxylic acid - Carboxylic acid derivative - Organooxygen compound - Carbonyl group - Organic oxygen compound - Organic oxide - Alcohol - Hydrocarbon derivative - Organohalogen compound - Organochloride - Aromatic heteropolycyclic 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