Compound Identification
SMILES
COC1=CC(OC)=C2C(=O)OC(COC(=O)C3=CC=CC=C3)=CC2=C1
InChIKey
InChIKey=JXXAIRXASLVOJB-UHFFFAOYSA-N
Formula
C19H16O6
Mass
340.331
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
Benzoic acid esters 2-benzopyrans Benzoyl derivatives Anisoles Pyranones and derivatives Alkyl aryl ethers Vinylogous esters Heteroaromatic compounds Lactones Carboxylic acid esters Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isocoumarin - Benzoate ester - Benzopyran - 2-benzopyran - Benzoic acid or derivatives - Anisole - Benzoyl - Phenol ether - Alkyl aryl ether - Pyranone - Monocyclic benzene moiety - Benzenoid - Pyran - Heteroaromatic compound - Vinylogous ester - Carboxylic acid ester - Lactone - Ether - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - 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