Compound Identification
SMILES
CC([NH3+])(CO)CO.CC1=CC(=O)OC2=C1C=CC(OP([O-])([O-])=O)=C2
InChIKey
InChIKey=IIXZLSQULKCKSI-UHFFFAOYSA-M
Formula
C14H19NO8P
Mass
360.279
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 phosphomonoesters 1-benzopyrans Pyranones and derivatives Benzenoids Quaternary ammonium salts Heteroaromatic compounds Lactones 1,2-aminoalcohols Oxacyclic compounds Primary alcohols Organic oxides Monoalkylamines Hydrocarbon derivatives Organic cations
Molecular Framework
Not available
Substituents
Coumarin - Aryl phosphate - Aryl phosphomonoester - Benzopyran - 1-benzopyran - Pyranone - Organic phosphoric acid derivative - Phosphoric acid ester - Benzenoid - Pyran - Heteroaromatic compound - Quaternary ammonium salt - 1,2-aminoalcohol - Lactone - Oxacycle - Organoheterocyclic compound - Primary alcohol - Alcohol - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Primary aliphatic amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Primary amine - 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