Compound Identification
SMILES
CCOC1=C(C=O)C(=O)OC2=CC=CC=C12
InChIKey
InChIKey=SHRPMZMGBHUXJR-UHFFFAOYSA-N
Formula
C12H10O4
Mass
218.208
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
1-benzopyrans Pyranones and derivatives Aryl-aldehydes Alkyl aryl ethers Benzenoids Vinylogous esters Heteroaromatic compounds Lactones Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Alkyl aryl ether - Pyranone - Aryl-aldehyde - Benzenoid - Pyran - Heteroaromatic compound - Vinylogous ester - Lactone - Ether - Oxacycle - Organoheterocyclic compound - Aldehyde - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen 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