Compound Identification
SMILES
OC(=O)[C@@H]1CC2=CC(O)=C(O)C=C2[N+]1=CC=C1C[C@H](NC(=C1)C(O)=O)C(O)=O
InChIKey
InChIKey=XHJKHSXHWJCBLX-AAEUAGOBSA-O
Formula
C18H17N2O8
Mass
389.339
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Indoles and derivatives
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Subclass
Indolecarboxylic acids and derivatives
- Level 5 Indolecarboxylic acids
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Subclass
Indolecarboxylic acids and derivatives
-
Class
Indoles and derivatives
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Indoles and derivatives
Subclass
Indolecarboxylic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Indolecarboxylic acids
Alternative Parents
L-alpha-amino acids Tricarboxylic acids and derivatives Tetrahydropyridines 1-hydroxy-2-unsubstituted benzenoids Shiff bases Enamines Dialkylamines Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Indolecarboxylic acid - Alpha-amino acid - Alpha-amino acid or derivatives - L-alpha-amino acid - Tricarboxylic acid or derivatives - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Tetrahydropyridine - Hydropyridine - Benzenoid - Shiff base - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Enamine - Azacycle - Organic oxide - Amine - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as indolecarboxylic acids. These are compounds containing a carboxylic acid group linked to an indole.
External Descriptors
Not available