Compound Identification
SMILES
[Ca++].OC[C@H]1OB(O)O[C@H]1[C@H](O)[C@@H](O)C([O-])=O.OC[C@H]1OB(O)O[C@H]1[C@H](O)[C@@H](O)C([O-])=O
InChIKey
InChIKey=SSKRIDIHZLFJCG-YDMSAURASA-L
Formula
C12H20B2CaO16
Mass
481.97
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Hydroxy acids and derivatives
- Subclass Beta hydroxy acids and derivatives
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Class
Hydroxy acids and derivatives
-
Superclass
Organic acids and derivatives
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Hydroxy acids and derivatives
Subclass
Beta hydroxy acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Beta hydroxy acids and derivatives
Alternative Parents
Monosaccharides Dioxaborolanes Secondary alcohols Carboxylic acid salts Oxacyclic compounds Organic metalloid salts Organic calcium salts Monocarboxylic acids and derivatives Carboxylic acids Primary alcohols Organic zwitterions Organic oxoanionic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Not available
Substituents
Beta-hydroxy acid - Monosaccharide - 1,3,2-dioxaborolane - Carboxylic acid salt - Organic borate - Secondary alcohol - Carboxylic acid derivative - Organic calcium salt - Carboxylic acid - Monocarboxylic acid or derivatives - Oxacycle - Organic metalloid salt - Organoheterocyclic compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Alcohol - Organooxygen compound - Primary alcohol - Organic zwitterion - Organic salt - Organic oxygen compound - Aliphatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as beta hydroxy acids and derivatives. These are compounds containing a carboxylic acid substituted with a hydroxyl group on the C3 carbon atom.
External Descriptors
Not available