Compound Identification
SMILES
CO[C@@H](NC(=O)CCCC1=CC=CC=C1)[C@@H]1C[C@@H](O)C(C)(C)[C@@H](C[C@H](O)[C@@H](C)[C@H]2CC3=C(C(=O)O2)C(O)=CC(O)=C3C)O1
InChIKey
InChIKey=VLYOLKJHRZBRAL-OIDFPTJWSA-N
Formula
C33H45NO9
Mass
599.721
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
- Level 5 Hydroxybenzoic acid 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
Not available
Direct Parent
Hydroxybenzoic acid derivatives
Alternative Parents
2-benzopyrans 1-hydroxy-2-unsubstituted benzenoids Oxanes N-acyl amines Vinylogous acids Secondary carboxylic acid amides Secondary alcohols Lactones Carboxylic acid esters Oxacyclic compounds Dialkyl ethers Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Dihydroxybenzoic acid - Benzopyran - Isochromane - 2-benzopyran - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Fatty amide - Fatty acyl - Oxane - N-acyl-amine - Vinylogous acid - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Secondary alcohol - Lactone - Carboxylic acid derivative - Dialkyl ether - Ether - Oxacycle - Organoheterocyclic compound - Hydrocarbon derivative - Alcohol - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as hydroxybenzoic acid derivatives. These are compounds containing a hydroxybenzoic acid (or a derivative), which is a benzene ring bearing a carboxyl and a hydroxyl groups.
External Descriptors
Not available