Compound Identification
SMILES
CC1C(O)C(OCC1OS([O-])(=O)=O)C([O-])=O
InChIKey
InChIKey=VIBWEEAVDRAZMY-UHFFFAOYSA-L
Formula
C7H10O8S
Mass
254.21
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
Sulfuric acid monoesters Pyrans Oxanes Alkyl sulfates Secondary alcohols Carboxylic acid salts Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic anions
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
Beta-hydroxy acid - Oxane - Pyran - Sulfuric acid monoester - Sulfate-ester - Alkyl sulfate - Sulfuric acid ester - Organic sulfuric acid or derivatives - Secondary alcohol - Carboxylic acid salt - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Carboxylic acid - Organoheterocyclic compound - Oxacycle - Carbonyl group - Organic oxygen compound - Organic oxide - Alcohol - Organooxygen compound - Hydrocarbon derivative - Organic anion - 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