Compound Identification
SMILES
[K+].[O-]S(=O)(=O)O[13C]1=[13CH][13C]2=[13C](C=CC(=O)O2)[13CH]=[13CH]1
InChIKey
InChIKey=SVUZPRLQAASRKC-CVLAVSJCSA-M
Formula
C9H5KO6S
Mass
286.25
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
Arylsulfates 1-benzopyrans Pyranones and derivatives Sulfuric acid monoesters Benzenoids Heteroaromatic compounds Lactones Oxacyclic compounds Organooxygen compounds Organic potassium salts Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - Arylsulfate - 1-benzopyran - Pyranone - Pyran - Sulfuric acid monoester - Sulfate-ester - Benzenoid - Sulfuric acid ester - Heteroaromatic compound - Organic sulfuric acid or derivatives - Lactone - Oxacycle - Organic alkali metal salt - Organoheterocyclic compound - Organic potassium 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