Compound Identification
SMILES
CC[C@@H]1CCCCC2=CC=CC=C2[C@H](OC1=O)C(=O)C[C@H](O)CC(C)=O
InChIKey
InChIKey=CDHITIHANXASKS-MDYRTPRTSA-N
Formula
C21H28O5
Mass
360.45
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Oxocins
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Oxocins
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Oxocins
Alternative Parents
Alpha-acyloxy ketones Beta-hydroxy ketones Benzenoids Secondary alcohols Lactones Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Oxocin - Alpha-acyloxy ketone - Beta-hydroxy ketone - Benzenoid - Carboxylic acid ester - Ketone - Lactone - Secondary alcohol - Carboxylic acid derivative - Oxacycle - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxide - Alcohol - Carbonyl group - Organic oxygen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as oxocins. These are compounds containing an oxocin ring, which is a eight-member unsaturated aromatic ring containing one oxygen atom and seven carbon atoms.
External Descriptors
Not available