Compound Identification
SMILES
CC(O)C#CC1=CC2=CC=CC=C2C(=O)O1
InChIKey
InChIKey=XNVUGJDBKZLVPX-UHFFFAOYSA-N
Formula
C13H10O3
Mass
214.22
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Isocoumarins and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Isocoumarins and derivatives
Alternative Parents
2-benzopyrans Pyranones and derivatives Benzenoids Heteroaromatic compounds Secondary alcohols Lactones Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isocoumarin - Benzopyran - 2-benzopyran - Pyranone - Pyran - Benzenoid - Heteroaromatic compound - Lactone - Secondary alcohol - Oxacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organooxygen compound - Alcohol - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as isocoumarins and derivatives. These are polycyclic compounds containing an isochromane which bears a ketone at the carbon C1.
External Descriptors
Not available