DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:03:58 UTC
Update Date	2025-03-25 00:55:04 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02210464
Frequency	0.5
Structure
Chemical Formula	C₂₀H₂₇N₃O₁₀
Molecular Mass	469.1696
SMILES	CC(=O)NC1C(O)OC(CO)C(O)C1Nc1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1
InChI Key	WLDDQLPRMLHVCM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic oxygen compounds
Class	organooxygen compounds
Subclass	carbohydrates and carbohydrate conjugates
Direct Parent	acylaminosugars
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	acetamides alpha amino acids amino acids aminosaccharides benzoyl derivatives carbonyl compounds carboxylic acids dicarboxylic acids and derivatives glutamic acid and derivatives hemiacetals hippuric acids and derivatives hydrocarbon derivatives monosaccharides n-acyl-alpha amino acids organic oxides organopnictogen compounds oxacyclic compounds oxanes phenylalkylamines primary alcohols secondary alcohols secondary alkylarylamines secondary carboxylic acid amides
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid aromatic heteromonocyclic compound amino acid or derivatives amino acid benzoyl monosaccharide alpha-amino acid or derivatives carboxylic acid derivative benzamide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound hemiacetal oxane primary alcohol organoheterocyclic compound acetamide n-acyl-alpha amino acid or derivatives alcohol n-acyl-alpha-amino acid hippuric acid or derivatives benzoic acid or derivatives glutamic acid or derivatives secondary amine carboxamide group secondary aliphatic/aromatic amine acylaminosugar oxacycle secondary carboxylic acid amide secondary alcohol dicarboxylic acid or derivatives phenylalkylamine hydrocarbon derivative benzenoid organic nitrogen compound amine

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