Compound Identification
SMILES
COC(=O)C1=CC=C(OC(=O)C2=CC3=C(OC2=O)C=C(OC)C=C3)C=C1
InChIKey
InChIKey=DUKOTYWNFXAISZ-UHFFFAOYSA-N
Formula
C19H14O7
Mass
354.314
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
Phenol esters Benzoic acid esters 1-benzopyrans Phenoxy compounds Benzoyl derivatives Anisoles Pyranones and derivatives Alkyl aryl ethers Dicarboxylic acids and derivatives Methyl esters Heteroaromatic compounds Lactones Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - Phenol ester - 1-benzopyran - Benzoate ester - Benzoic acid or derivatives - Anisole - Benzoyl - Phenoxy compound - Pyranone - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Pyran - Dicarboxylic acid or derivatives - Heteroaromatic compound - Methyl ester - Lactone - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Ether - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Organooxygen compound - Hydrocarbon derivative - 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