Structure Information
Structure

Compound Identification

SMILES

CC(CCC(O)=O)=CCC1=C(CO)C(C)=C2COC(=O)C2=C1O

InChIKey

InChIKey=IZSLBKMCGQJKGL-UHFFFAOYSA-N

Formula

C17H20O6

Mass

320.341

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Isocoumarans

Subclass

Isobenzofuranones

Intermediate Tree Nodes

Not available

Direct Parent

Phthalides

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Phthalide - Medium-chain fatty acid - Branched fatty acid - Heterocyclic fatty acid - Hydroxy fatty acid - Phenol - Methyl-branched fatty acid - Fatty acyl - Unsaturated fatty acid - Fatty acid - Benzenoid - Vinylogous acid - Lactone - Carboxylic acid ester - Oxacycle - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Primary alcohol - Alcohol - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic alcohol - Organic oxygen compound - Carbonyl group - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as phthalides. These are compounds containing a 3-hydrocarbylidene-2-benzofuran-1(3H)-one moiety,.

External Descriptors

Not available

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