Compound Identification
SMILES
CC1=CC(=O)OC2=C1C=CC(OCC(=O)OCC(=O)C1=CC3=CC=CC=C3O1)=C2
InChIKey
InChIKey=UQHCKWJYEZONDN-UHFFFAOYSA-N
Formula
C22H16O7
Mass
392.363
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Coumarins and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Coumarins and derivatives
Alternative Parents
Phenoxyacetic acid derivatives 1-benzopyrans Benzofurans Phenol ethers Aryl alkyl ketones Pyranones and derivatives Alkyl aryl ethers Alpha-acyloxy ketones Heteroaromatic compounds Furans Lactones Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Phenoxyacetate - Benzopyran - 1-benzopyran - Benzofuran - Phenol ether - Aryl ketone - Aryl alkyl ketone - Alpha-acyloxy ketone - Pyranone - Alkyl aryl ether - Benzenoid - Pyran - Furan - Heteroaromatic compound - Carboxylic acid ester - Ketone - Lactone - Oxacycle - Ether - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one).
External Descriptors
Not available