Structure Information
Structure

Compound Identification

SMILES

[Ca++].OC[C@H]1OC(=O)[C@H](O)[C@@H](O)[C@@H]1O.OC[C@H]1OC(=O)[C@H](O)[C@@H](O)[C@@H]1O

InChIKey

InChIKey=VJXCYNRPLXENHS-IYEMJOQQSA-N

Formula

C12H20CaO12

Mass

396.357

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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

Not available

Substituents

Gluconolactone - Delta valerolactone - Delta_valerolactone - Oxane - 1,2-diol - Carboxylic acid ester - Secondary alcohol - Lactone - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Polyol - Alcohol - Hydrocarbon derivative - Primary alcohol - Carbonyl group - Organic oxide - Organic cation - Aliphatic 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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