Compound Identification
SMILES
CC1CC[C@@]23C[C@H](OC(=O)C(Cl)Cl)C(=O)C2[C@]1(C)[C@@H](C[C@@](C)(C=C)[C@@H](OC(=O)C(F)(F)F)[C@@H]3C)OC(=O)NC(=O)C1=NN=C(C=C1)N=C
InChIKey
InChIKey=DWIOWKPCYBQMBU-XPRKWDKWSA-N
Formula
C31H35Cl2F3N4O8
Mass
719.54
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Lipids and lipid-like molecules
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Class
Prenol lipids
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Subclass
Diterpenoids
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Level 5
Mutilane diterpenoids
- Level 6 Mutilin derivatives
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Level 5
Mutilane diterpenoids
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Subclass
Diterpenoids
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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
Diterpenoids
Intermediate Tree Nodes
Mutilane diterpenoids
Direct Parent
Mutilin derivatives
Alternative Parents
Alpha-acyloxy ketones Pyridazines and derivatives Dicarboxylic acids and derivatives Alpha-halocarboxylic acid derivatives Carbamate esters Heteroaromatic compounds Carboxylic acid esters Ketones Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxides Organochlorides Alkyl fluorides Organofluorides Alkyl chlorides Imines Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Mutilin skeleton - Alpha-acyloxy ketone - Dicarboxylic acid or derivatives - Pyridazine - Alpha-halocarboxylic acid derivative - Alpha-halocarboxylic acid or derivatives - Heteroaromatic compound - Carbamic acid ester - Carboxylic acid ester - Ketone - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organochloride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Imine - Hydrocarbon derivative - Organic oxide - Alkyl chloride - Carbonyl group - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as mutilin derivatives. These are tricyclic diterpenoids structurally characterized by the presence of a 1-oxo-decahydro-3a,9-propanocyclopenta[8]annulene skeleton.
External Descriptors
Not available