Compound Identification
SMILES
CC(O)C(C)(O)C(=O)OCC1CCN2CCC(OC(=O)c3ccccc3O)C12
InChIKey
InChIKey=HQNBAGWQDKKAMY-UHFFFAOYSA-N
Formula
C20H27NO7
Mass
393.436
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
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Level 5
Benzoic acid esters
- Level 6 o-Hydroxybenzoic acid esters
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Level 5
Benzoic acid esters
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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
Benzoic acid esters
Direct Parent
o-Hydroxybenzoic acid esters
Alternative Parents
Salicylic acid and derivatives Benzoyl derivatives Pyrrolizidines 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Fatty acid esters Beta hydroxy acids and derivatives N-alkylpyrrolidines Dicarboxylic acids and derivatives Vinylogous acids Tertiary alcohols Secondary alcohols Trialkylamines Carboxylic acid esters Amino acids and derivatives 1,2-diols Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
O-hydroxybenzoic acid ester - Salicylic acid or derivatives - Benzoyl - Pyrrolizidine - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Beta-hydroxy acid - Fatty acid ester - Phenol - Dicarboxylic acid or derivatives - Hydroxy acid - Fatty acyl - N-alkylpyrrolidine - Pyrrolidine - Vinylogous acid - Tertiary alcohol - 1,2-diol - Amino acid or derivatives - Carboxylic acid ester - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Amine - Carbonyl group - Organic oxygen compound - Organooxygen compound - Alcohol - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as o-hydroxybenzoic acid esters. These are benzoic acid esters where the benzene ring is ortho-substituted with a hydroxy group.
External Descriptors
Not available