Compound Identification
SMILES
O[C@H]([C@@H](O)C([O-])=O)C([O-])=O.NCC(O)C1=CC(O)=C(O)C=C1
InChIKey
InChIKey=WNPNNLQNNJQYFA-LREBCSMRSA-L
Formula
C12H15NO9
Mass
317.251
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Phenols
-
Subclass
Benzenediols
- Level 5 Catechols
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Subclass
Benzenediols
-
Class
Phenols
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenols
Subclass
Benzenediols
Intermediate Tree Nodes
Not available
Direct Parent
Catechols
Alternative Parents
Short-chain hydroxy acids and derivatives Beta hydroxy acids and derivatives Aralkylamines 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Monosaccharides Fatty acids and conjugates Dicarboxylic acids and derivatives Benzene and substituted derivatives Secondary alcohols 1,2-aminoalcohols Carboxylic acids Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds Aromatic alcohols Organic anions
Molecular Framework
Not available
Substituents
Catechol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Aralkylamine - Short-chain hydroxy acid - Beta-hydroxy acid - Fatty acid - Monosaccharide - Hydroxy acid - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - Secondary alcohol - 1,2-aminoalcohol - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Aromatic alcohol - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Carbonyl group - Amine - Alcohol - Organic anion - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as catechols. These are compounds containing a 1,2-benzenediol moiety.
External Descriptors
Not available