Compound Identification
SMILES
C[C@@H]1CC[C@@]23CCC(=O)[C@@H]2[C@]1(C)[C@@H](C[C@@](C)(C=C)[C@@H](OS(=O)(=O)C1=CC=C(C)C=C1)[C@@H]3C)OC(=O)CO
InChIKey
InChIKey=XGPFWGFBTWVKOJ-IOELBFDNSA-N
Formula
C29H40O7S
Mass
532.69
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
-
Subclass
Diterpenoids
-
Level 5
Mutilane diterpenoids
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Level 6
Mutilin derivatives
- Level 7 Pleuromutilin and derivatives
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Level 6
Mutilin derivatives
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Level 5
Mutilane diterpenoids
-
Subclass
Diterpenoids
-
Class
Prenol lipids
-
Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Prenol lipids
Subclass
Diterpenoids
Intermediate Tree Nodes
Mutilane diterpenoids - Mutilin derivatives
Direct Parent
Pleuromutilin and derivatives
Alternative Parents
p-Methylbenzenesulfonates Benzenesulfonate esters Tosyl compounds Benzenesulfonyl compounds Arylsulfonic acids and derivatives Organosulfonic acid esters Sulfonyls Ketones Carboxylic acid esters Monocarboxylic acids and derivatives Primary alcohols Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Pleuromutilin - Benzenesulfonate ester - P-methylbenzenesulfonate - Tosyl compound - Benzenesulfonate - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Toluene - Monocyclic benzene moiety - Benzenoid - Organosulfonic acid ester - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Ketone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Primary alcohol - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Carbonyl group - Organic oxide - Alcohol - Organic oxygen compound - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as pleuromutilin and derivatives. These are mutilins with a hydroxyacetate derivative attached to the C8 carbon atom of the cyclopenta[8]annulene moiety.
External Descriptors
Not available