Compound Identification
SMILES
[NH3+]C1CCCCC1.CC1=CC(=O)OC2=C1C=CC(OP([O-])([O-])=O)=C2
InChIKey
InChIKey=VPMVNAKTIFOHIX-UHFFFAOYSA-M
Formula
C16H21NO6P
Mass
354.319
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 Cyclohexylamines Benzenoids Quaternary ammonium salts Heteroaromatic compounds Lactones Oxacyclic compounds Organooxygen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Organic cations
Molecular Framework
Not available
Substituents
Coumarin - Benzopyran - Aryl phosphate - Aryl phosphomonoester - 1-benzopyran - Cyclohexylamine - Pyranone - Organic phosphoric acid derivative - Phosphoric acid ester - Benzenoid - Pyran - Heteroaromatic compound - Quaternary ammonium salt - Lactone - Oxacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Amine - Primary aliphatic amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - 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