Compound Identification
SMILES
CCC1=C(NC(CNCC(O)C2=CC(O)=C(O)C=C2)=C1C(=O)OC)C(=O)OC(C)(C)C
InChIKey
InChIKey=STURKIXTUNMFNR-UHFFFAOYSA-N
Formula
C22H30N2O7
Mass
434.489
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Phenols
-
Subclass
Benzenediols
- Level 5 Catechols
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Subclass
Benzenediols
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Class
Phenols
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenols
Subclass
Benzenediols
Intermediate Tree Nodes
Not available
Direct Parent
Catechols
Alternative Parents
Pyrrole carboxylic acids and derivatives 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Aralkylamines Substituted pyrroles Benzene and substituted derivatives Vinylogous amides Methyl esters Heteroaromatic compounds Secondary alcohols 1,2-aminoalcohols Amino acids and derivatives Dialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives Aromatic alcohols
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Catechol - Pyrrole-3-carboxylic acid or derivatives - Pyrrole-2-carboxylic acid or derivatives - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Aralkylamine - Monocyclic benzene moiety - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Vinylogous amide - Methyl ester - 1,2-aminoalcohol - Amino acid or derivatives - Carboxylic acid ester - Secondary alcohol - Azacycle - Secondary aliphatic amine - Carboxylic acid derivative - Secondary amine - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Amine - Organic nitrogen compound - Alcohol - Aromatic alcohol - Aromatic heteromonocyclic 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