Structure Information
Structure

Compound Identification

SMILES

COC1=CC(OC)=C(C(O)=O)C(CC2=CC3=CC(OC)=CC(OC)=C3C(=O)O2)=C1

InChIKey

InChIKey=OYHVOVNGKJTGPX-UHFFFAOYSA-N

Formula

C21H20O8

Mass

400.383

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 - O-methoxybenzoic acid or derivatives - P-methoxybenzoic acid or derivatives - Benzopyran - 2-benzopyran - Dimethoxybenzene - M-dimethoxybenzene - Benzoic acid or derivatives - Benzoic acid - Methoxybenzene - Benzoyl - Anisole - Phenoxy compound - Phenol ether - Alkyl aryl ether - Pyranone - Monocyclic benzene moiety - Benzenoid - Pyran - Heteroaromatic compound - Vinylogous ester - Lactone - Monocarboxylic acid or derivatives - Oxacycle - Ether - Carboxylic acid - Carboxylic acid derivative - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organic oxide - 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