Structure Information
Structure

Compound Identification

SMILES

COC1=[13CH]C(O)=[13C]2C(=O)OC([13CH2]O)=[13CH]C2=[13CH]1

InChIKey

InChIKey=CAWNOJXNAUEIGB-MDQIEJFASA-N

Formula

C11H10O5

Mass

227.158

Export to:

JSON SDF CSV

Taxonomic Classification

Taxonomy Tree

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

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Isocoumarin - Benzopyran - 2-benzopyran - Anisole - Phenol ether - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Phenol - Pyranone - Pyran - Benzenoid - Vinylogous acid - Heteroaromatic compound - Lactone - Organoheterocyclic compound - Oxacycle - Ether - Alcohol - Primary alcohol - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic alcohol - 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

Previous Back Next