Compound Identification
SMILES
CO[C@H]1C[C@@](OC2=CC(OC)=C(C=O)C=C2)(OC([C@@H](N)[C@@H](O)CN)[C@@H]1NC(C)=O)C(O)=O
InChIKey
InChIKey=LRRAREUUVFWJGT-NBMIFVSSSA-N
Formula
C20H29N3O9
Mass
455.464
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organic oxygen compounds
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Class
Organooxygen compounds
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Subclass
Carbohydrates and carbohydrate conjugates
- Level 5 Sugar acids and derivatives
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Subclass
Carbohydrates and carbohydrate conjugates
-
Class
Organooxygen compounds
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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
Direct Parent
Pyranoid amino acids and derivatives
Alternative Parents
C-glucuronides Phenoxyacetic acid derivatives C-glycosyl compounds Anisoles Benzaldehydes Benzoyl derivatives Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Aminosaccharides Ketals Oxanes Pyrans Acetamides 1,2-aminoalcohols Secondary alcohols Secondary carboxylic acid amides Amino acids Dialkyl ethers Carboxylic acids Oxacyclic compounds Monocarboxylic acids and derivatives Organopnictogen compounds Hydrocarbon derivatives Monoalkylamines Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Pyranoid amino acid - C-glucuronide - C-glycosyl compound - Glycosyl compound - Phenoxyacetate - Phenoxy compound - Anisole - Benzaldehyde - Benzoyl - Methoxybenzene - Phenol ether - Alkyl aryl ether - Ketal - Amino saccharide - Aryl-aldehyde - Monocyclic benzene moiety - Oxane - Benzenoid - Pyran - Acetamide - Secondary alcohol - Secondary carboxylic acid amide - Amino acid or derivatives - 1,2-aminoalcohol - Amino acid - Carboxamide group - Organoheterocyclic compound - Acetal - Monocarboxylic acid or derivatives - Oxacycle - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Alcohol - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Carbonyl group - Primary aliphatic amine - Organic nitrogen compound - Amine - Aldehyde - Organopnictogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as pyranoid amino acids and derivatives. These are compounds containing a (hydro)pyran ring bearing unprotected amino and carboxylic acid functionalities.
External Descriptors
Not available