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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbohydrates and carbohydrate conjugates
-
Level 5
Monosaccharides
-
Level 6
Hexoses
- Level 7 Gluconolactones
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Level 6
Hexoses
-
Level 5
Monosaccharides
-
Subclass
Carbohydrates and carbohydrate conjugates
-
Class
Organooxygen compounds
-
Superclass
Organic oxygen compounds
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
Delta valerolactones Oxanes Secondary alcohols Carboxylic acid esters 1,2-diols Oxacyclic compounds Monocarboxylic acids and derivatives Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
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