Compound Identification
SMILES
COC1=CC(=O)C2=C3C1=COC(=O)C3=C(OC)C=C2O
InChIKey
InChIKey=OZEDYANFTHNHQG-UHFFFAOYSA-N
Formula
C14H10O6
Mass
274.228
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Isocoumarins and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Isocoumarins and derivatives
Alternative Parents
2-benzopyrans Aryl ketones Anisoles Pyranones and derivatives Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Vinylogous esters Vinylogous acids Heteroaromatic compounds Lactones Oxacyclic compounds Organic oxides Hydrocarbon derivatives Aldehydes
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isocoumarin - Benzopyran - 2-benzopyran - Anisole - Aryl ketone - 1-hydroxy-2-unsubstituted benzenoid - Pyranone - Alkyl aryl ether - Pyran - Benzenoid - Heteroaromatic compound - Vinylogous ester - Vinylogous acid - Lactone - Ketone - Oxacycle - Ether - Organoheterocyclic compound - Organooxygen compound - Organic oxygen compound - Aldehyde - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as isocoumarins and derivatives. These are polycyclic compounds containing an isochromane which bears a ketone at the carbon C1.
External Descriptors
Not available