Structure Information
Structure

Compound Identification

SMILES

OC(=O)[C@@]12[C@@H](COC1=O)C2C1=CC=CC=C1

InChIKey

InChIKey=MCWUVKNEWRSKCR-OYGLUPDLSA-N

Formula

C12H10O4

Mass

218.208

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Lactones

Subclass

Delta valerolactones

Intermediate Tree Nodes

Not available

Direct Parent

Delta valerolactones

Alternative Parents

Oxanes Gamma butyrolactones Dicarboxylic acids and derivatives Cyclopropanecarboxylic acids Benzene and substituted derivatives Oxolanes Carboxylic acid esters Oxacyclic compounds Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Delta valerolactone - Delta_valerolactone - Monocyclic benzene moiety - Cyclopropanecarboxylic acid - Cyclopropanecarboxylic acid or derivatives - Dicarboxylic acid or derivatives - Gamma butyrolactone - Oxane - Benzenoid - Oxolane - Carboxylic acid ester - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Organic oxygen compound - Carbonyl group - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as delta valerolactones. These are cyclic organic compounds containing an oxan-2- one moiety.

External Descriptors

Not available

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