Compound Identification
SMILES
OC(=O)CN(CC(O)=O)C1=CC2=C(C=C1)C(COC(=O)OC1=CC=CC=C1)=CC(=O)O2
InChIKey
InChIKey=BPMHAVQLNIQHTK-UHFFFAOYSA-N
Formula
C21H17NO9
Mass
427.365
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
Alpha amino acids 1-benzopyrans Phenoxy compounds Dialkylarylamines Pyranones and derivatives Dicarboxylic acids and derivatives Carbonic acid diesters Heteroaromatic compounds Lactones Amino acids Oxacyclic compounds Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Alpha-amino acid - Alpha-amino acid or derivatives - Benzopyran - 1-benzopyran - Phenoxy compound - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Pyranone - Dicarboxylic acid or derivatives - Carbonic acid diester - Monocyclic benzene moiety - Pyran - Benzenoid - Heteroaromatic compound - Amino acid or derivatives - Amino acid - Carbonic acid derivative - Tertiary amine - Lactone - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Organoheterocyclic compound - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - 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