Compound Identification
SMILES
OC1C(OC(=C)C([O-])=O)C=CC=C1C([O-])=O
InChIKey
InChIKey=NTGWPRCCOQCMGE-UHFFFAOYSA-L
Formula
C10H8O6
Mass
224.169
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
Dicarboxylic acids and derivatives Secondary alcohols Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic anions
Molecular Framework
Aliphatic homomonocyclic compounds
Substituents
Beta-hydroxy acid - Dicarboxylic acid or derivatives - Secondary alcohol - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Alcohol - Organic anion - Aliphatic homomonocyclic 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
META CYC (ISOCHORISMATE) : a small molecule