Compound Identification
SMILES
[Na+].CC1=CC(=O)OC2=C1C=CC(OP([O-])(=O)OC1=CC3=C(C=C1)C(C)=CC(=O)O3)=C2
InChIKey
InChIKey=QYXUWMXTQPVWBV-UHFFFAOYSA-M
Formula
C20H14NaO8P
Mass
436.288
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
Aryl phosphodiesters 1-benzopyrans Pyranones and derivatives Benzenoids Heteroaromatic compounds Lactones Oxacyclic compounds Organooxygen compounds Organic sodium salts Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Aryl phosphodiester - Coumarin - Aryl phosphate - Benzopyran - 1-benzopyran - Pyranone - Organic phosphoric acid derivative - Phosphoric acid ester - Pyran - Benzenoid - Heteroaromatic compound - Lactone - Oxacycle - Organic alkali metal salt - Organoheterocyclic compound - Organic sodium salt - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic salt - Organic cation - 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