Compound Identification
SMILES
CO[C@H]1C[C@H](O[C@H]2C(OC3C#C\C=C/C#C[C@]4(O)CC(=O)C(NC(=O)OC)=C3\C4=C/CSSSC)O[C@H](C)[C@@](SC)(C(CO)O[C@H]3C[C@H](O)[C@H](SC)[C@@H](C)O3)[C@@H]2O)OC[C@@H]1NC(C)C
InChIKey
InChIKey=PYODOXNMJUJHHR-YMZSJPQTSA-N
Formula
C43H62N2O14S5
Mass
991.27
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
-
Level 5
Ketones
-
Level 6
Cyclic ketones
- Level 7 Cyclohexenones
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Level 6
Cyclic ketones
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Level 5
Ketones
-
Subclass
Carbonyl compounds
-
Class
Organooxygen compounds
-
Superclass
Organic oxygen compounds
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Carbonyl compounds
Intermediate Tree Nodes
Ketones - Cyclic ketones
Direct Parent
Cyclohexenones
Alternative Parents
Ynones Monosaccharides Oxanes Tertiary alcohols Methylcarbamates Organic trisulfides Secondary alcohols Acetals Dialkyl ethers Dialkylamines Dialkylthioethers Sulfenyl compounds Oxacyclic compounds Aldehydes Primary alcohols Organic oxides Hydrocarbon derivatives Organopnictogen compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Cyclohexenone - Monosaccharide - Oxane - Ynone - Methylcarbamate - Organic trisulfide - Tertiary alcohol - Carbamic acid ester - Secondary alcohol - Acetal - Dialkyl ether - Secondary aliphatic amine - Ether - Secondary amine - Oxacycle - Thioether - Organoheterocyclic compound - Dialkylthioether - Sulfenyl compound - Organonitrogen compound - Organosulfur compound - Organic oxide - Primary alcohol - Hydrocarbon derivative - Amine - Alcohol - Aldehyde - Organic nitrogen compound - Organopnictogen compound - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as cyclohexenones. These are compounds containing a cylohexenone moiety, which is a six-membered aliphatic ring that carries a ketone and has one endocyclic double bond.
External Descriptors
Not available