Compound Identification
SMILES
C[C@@H](O)[C@@H]1[C@H]2SC(COC(=O)C3=CC(O)=C(O)C=C3)=C(N2C1=O)C(O)=O
InChIKey
InChIKey=DWIONACBUWNGNL-DCHUIVQRSA-N
Formula
C16H15NO8S
Mass
381.36
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
-
Level 5
Benzoic acid esters
- Level 6 p-Hydroxybenzoic acid esters
-
Level 5
Benzoic acid esters
-
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 - p-Hydroxybenzoic acid esters
Direct Parent
p-Hydroxybenzoic acid alkyl esters
Alternative Parents
m-Hydroxybenzoic acid esters Alpha amino acids and derivatives Hydroxybenzoic acid derivatives Benzoyl derivatives Catechols Penems Thiazolecarboxylic acids and derivatives 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Vinylogous thioesters Thiazolines Tertiary carboxylic acid amides Tertiary amines Secondary alcohols Thioenol ethers Amino acids Azetidines Carboxylic acid esters Monocarboxylic acids and derivatives Thiohemiaminal derivatives Azacyclic compounds Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
P-hydroxybenzoic acid alkyl ester - M-hydroxybenzoic acid ester - Dihydroxybenzoic acid - Alpha-amino acid or derivatives - Benzoyl - Catechol - Penem - Thiazolecarboxylic acid or derivatives - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Vinylogous thioester - Beta-lactam - Tertiary carboxylic acid amide - Meta-thiazoline - Thiazole - Amino acid or derivatives - Azetidine - Carboxamide group - Carboxylic acid ester - Amino acid - Lactam - Secondary alcohol - Tertiary amine - Thioenolether - Carboxylic acid - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Hemithioaminal - Organic nitrogen compound - Organic oxide - Amine - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Alcohol - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as p-hydroxybenzoic acid alkyl esters. These are aromatic compounds containing a benzoic acid, which is esterified with an alkyl group and para-substituted with a hydroxyl group.
External Descriptors
Not available