Compound Identification
SMILES
[Na+].CC(=O)CC(C1=CC=C(O)C=C1)C1=C([O-])C2=CC=CC=C2OC1=O
InChIKey
InChIKey=YAOZJEYVVANLGF-UHFFFAOYSA-M
Formula
C19H15NaO5
Mass
346.314
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
1-benzopyrans Pyranones and derivatives 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Vinylogous acids Heteroaromatic compounds Lactones Ketones Oxacyclic compounds Organic sodium salts Organic oxides Hydrocarbon derivatives Aldehydes Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Pyranone - Monocyclic benzene moiety - Pyran - Benzenoid - Heteroaromatic compound - Vinylogous acid - Ketone - Lactone - Oxacycle - Organic alkali metal salt - Organoheterocyclic compound - Organic sodium salt - Organooxygen compound - Aldehyde - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - 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