Compound Identification
SMILES
COc1ccc(OC2(CC(O)C(NC(C)=O)C(O2)C(O)C(O)CO)C(O)=O)cc1
InChIKey
InChIKey=YOXSIQUWTMPLFS-UHFFFAOYSA-N
Formula
C18H25NO10
Mass
415.395
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
Sugar amino acids and derivatives
-
Level 7
Pyranoid amino acids and derivatives
-
Level 8
Neuraminic acids and derivatives
-
Level 9
N-acylneuraminic acids and derivatives
- Level 10 N-acylneuraminic acids
-
Level 9
N-acylneuraminic acids and derivatives
-
Level 8
Neuraminic acids and derivatives
-
Level 7
Pyranoid amino acids and derivatives
-
Level 6
Sugar amino acids and 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 - Sugar amino acids and derivatives - Pyranoid amino acids and derivatives - Neuraminic acids and derivatives - N-acylneuraminic acids and derivatives
Direct Parent
N-acylneuraminic acids
Alternative Parents
Neuraminic acids C-glucuronides Phenoxyacetic acid derivatives C-glycosyl compounds Phenoxy compounds Methoxybenzenes Anisoles Ketals Alkyl aryl ethers Pyrans Oxanes Acetamides Secondary carboxylic acid amides Secondary alcohols Polyols Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Primary alcohols Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acylneuraminic acid - Neuraminic acid - C-glucuronide - Phenoxyacetate - Glycosyl compound - C-glycosyl compound - Phenoxy compound - Methoxybenzene - Phenol ether - Anisole - Ketal - Alkyl aryl ether - Benzenoid - Pyran - Oxane - Monocyclic benzene moiety - Acetamide - Secondary carboxylic acid amide - Secondary alcohol - Carboxamide group - Oxacycle - Organoheterocyclic compound - Polyol - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Acetal - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organonitrogen compound - Carbonyl group - Alcohol - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as n-acylneuraminic acids. These are neuraminic acids carrying an N-acyl substituent.
External Descriptors
Not available