Compound Identification
SMILES
CCCCCCCCOC1=C(OC(=O)[C@H]2O[C@H](O)[C@H](O)[C@@H](O)[C@@H]2O)C2=C(C=C(NC(=O)\C=C\C3=CC(OC)=C(OC(=O)[C@H]4O[C@H](O)[C@H](O)[C@@H](O)[C@@H]4O)C(OC)=C3)C=C2)N(C)C1=O
InChIKey
InChIKey=KMIHSSJKXMFZEN-LPUOTPHCSA-N
Formula
C41H52N2O19
Mass
876.862
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbohydrates and carbohydrate conjugates
-
Level 5
Sugar acids and derivatives
- Level 6 Glucuronic acid derivatives
-
Level 5
Sugar acids and derivatives
-
Subclass
Carbohydrates and carbohydrate conjugates
-
Class
Organooxygen compounds
-
Superclass
Organic oxygen compounds
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Carbohydrates and carbohydrate conjugates
Intermediate Tree Nodes
Sugar acids and derivatives
Direct Parent
Glucuronic acid derivatives
Alternative Parents
Cinnamic acid amides Hydroquinolones Phenol esters Hydroquinolines Dimethoxybenzenes Phenoxy compounds Anisoles N-arylamides Styrenes Alkyl aryl ethers Pyridinones Beta hydroxy acids and derivatives Pyrans Oxanes Monosaccharides Dicarboxylic acids and derivatives Heteroaromatic compounds Secondary carboxylic acid amides Secondary alcohols Carboxylic acid esters Lactams 1,2-diols Hemiacetals Oxacyclic compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Glucuronic acid or derivatives - Cinnamic acid amide - Cinnamic acid or derivatives - Dihydroquinolone - Dihydroquinoline - Phenol ester - Quinoline - Dimethoxybenzene - M-dimethoxybenzene - Anisole - Phenoxy compound - Phenol ether - Styrene - N-arylamide - Methoxybenzene - Pyridinone - Beta-hydroxy acid - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Pyridine - Pyran - Dicarboxylic acid or derivatives - Oxane - Monosaccharide - Hydroxy acid - Heteroaromatic compound - Secondary alcohol - 1,2-diol - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Hemiacetal - Lactam - Organoheterocyclic compound - Carboxylic acid derivative - Oxacycle - Ether - Azacycle - Polyol - Alcohol - Organic nitrogen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as glucuronic acid derivatives. These are compounds containing a glucuronic acid moiety (or a derivative), which consists of a glucose moiety with the C6 carbon oxidized to a carboxylic acid.
External Descriptors
Not available