Compound Identification
SMILES
CC(=O)NC1=C(C=C(C=C1N=C(N)N)C(O)=O)[C@H](O)[C@H](O)CO
InChIKey
InChIKey=RIBVKILZVHLIGD-KOLCDFICSA-N
Formula
C13H18N4O6
Mass
326.309
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
-
Level 5
Aminobenzoic acids and derivatives
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Level 6
Guanidinobenzoic acids and derivatives
- Level 7 Guanidinobenzoic acids
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Level 6
Guanidinobenzoic acids and derivatives
-
Level 5
Aminobenzoic acids and derivatives
-
Subclass
Benzoic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Aminobenzoic acids and derivatives - Guanidinobenzoic acids and derivatives
Direct Parent
Guanidinobenzoic acids
Alternative Parents
Acylaminobenzoic acid and derivatives Acetanilides N-acetylarylamines Benzoic acids Benzoyl derivatives Acetamides Secondary carboxylic acid amides Secondary alcohols Guanidines Propargyl-type 1,3-dipolar organic compounds Polyols Monocarboxylic acids and derivatives Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Aromatic alcohols Organic oxides Organopnictogen compounds Primary alcohols
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Acylaminobenzoic acid or derivatives - Guanidinobenzoic acid - Acetanilide - Benzoic acid - N-acetylarylamine - Anilide - Benzoyl - N-arylamide - Acetamide - Carboxamide group - Guanidine - Secondary alcohol - Secondary carboxylic acid amide - Carboxylic acid derivative - Carboxylic acid - Organic 1,3-dipolar compound - Monocarboxylic acid or derivatives - Polyol - Propargyl-type 1,3-dipolar organic compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Alcohol - Organic oxide - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Primary alcohol - Carbonyl group - Aromatic alcohol - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as guanidinobenzoic acids. These are aromatic compounds containing a guanidine group linked to the benzene ring of a benzoic acid.
External Descriptors
Not available