Structure Information
Structure

Compound Identification

SMILES

CO[C@@H]1[C@H](O)[C@@H](OCC2=CC=CC=C2)[C@H](OC1=O)C#CC(C)C

InChIKey

InChIKey=WPMBMAWLKWNSFP-WCXIOVBPSA-N

Formula

C18H22O5

Mass

318.369

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic oxygen compounds

Class

Organooxygen compounds

Subclass

Carbohydrates and carbohydrate conjugates

Intermediate Tree Nodes

Monosaccharides - Hexoses

Direct Parent

Gluconolactones

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Gluconolactone - Benzylether - Delta valerolactone - Delta_valerolactone - Monocyclic benzene moiety - Benzenoid - Oxane - Carboxylic acid ester - Secondary alcohol - Lactone - Organoheterocyclic compound - Ether - Dialkyl ether - Oxacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxide - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as gluconolactones. These are polyhydroxy acids containing a gluconolactone molecule, which is characterized by a tetrahydropyran substituted by three hydroxyl groups, one ketone group, and one hydroxymethyl group.

External Descriptors

Not available

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