Compound Identification
SMILES
[H]\C1=C([H])/C[C@]2([H])C=C[C@@]3([H])[C@@]([H])(CC[C@]([H])(C)[C@]3([H])O[C@@]3([H])C[C@@]([H])(O)[C@]([H])(N=C(O)C4=C(Cl)C=CN4)[C@@]([H])(C)O3)[C@]2(CC)C(=O)C2=C(O)[C@@]3(C[C@]([H])(CC)C(=C[C@]3(C)\C([H])=C(C)\C1)C(O)=O)OC2=O
InChIKey
InChIKey=YKLXDAWPGVZXKC-NMNDIUEASA-N
Formula
C45H57ClN2O10
Mass
821.41
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
Substituted pyrroles Aryl chlorides Oxanes Butenolides Dicarboxylic acids and derivatives Vinylogous acids Enoate esters Heteroaromatic compounds Secondary alcohols Ketones Lactones Acetals Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Oxacyclic compounds Carboximidic acids Enols Carboxylic acids Organonitrogen compounds Organopnictogen compounds Organochlorides Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Macrolide - Aryl chloride - Aryl halide - 2-furanone - Dicarboxylic acid or derivatives - Oxane - Substituted pyrrole - Dihydrofuran - Heteroaromatic compound - Pyrrole - Vinylogous acid - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Ketone - Lactone - Secondary alcohol - Azacycle - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Carboximidic acid - Oxacycle - Carboximidic acid derivative - Carboxylic acid derivative - Enol - Acetal - Carboxylic acid - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Alcohol - Organohalogen compound - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organochloride - Organic nitrogen compound - Organonitrogen compound - 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
CHEBI:65728 : cyclic ketone - monocarboxylic acid - organochlorine compound - pyrroles - gamma-lactone - macrocycle - carbohydrate-containing antibiotic - oxaspiro compound - amide - trideoxyhexose derivative