DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:54:09 UTC
Update Date	2025-03-25 00:51:35 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02187997
Frequency	0.5
Structure
Chemical Formula	C₂₀H₂₇N₃O₁₀
Molecular Mass	469.1696
SMILES	CC(=O)NCCC(NC(=O)c1ccc(NCC2OC(C(=O)O)C(O)C(O)C2O)cc1)C(=O)O
InChI Key	QMVVBKFKJDMMAZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic oxygen compounds
Class	organooxygen compounds
Subclass	carbohydrates and carbohydrate conjugates
Direct Parent	glucuronic acid derivatives
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	acetamides alpha amino acids amino acids benzoyl derivatives beta hydroxy acids and derivatives carbonyl compounds carboxylic acids dialkyl ethers dicarboxylic acids and derivatives hippuric acids and derivatives hydrocarbon derivatives monosaccharides n-acyl-alpha amino acids organic oxides organopnictogen compounds oxacyclic compounds oxanes phenylalkylamines pyran carboxylic acids secondary alcohols secondary alkylarylamines secondary carboxylic acid amides
Substituents	monocyclic benzene moiety carbonyl group ether carboxylic acid glucuronic acid or derivatives aromatic heteromonocyclic compound amino acid or derivatives amino acid benzoyl monosaccharide alpha-amino acid or derivatives carboxylic acid derivative pyran carboxylic acid dialkyl ether benzamide beta-hydroxy acid organic oxide organonitrogen compound alpha-amino acid organopnictogen compound oxane organoheterocyclic compound acetamide n-acyl-alpha amino acid or derivatives alcohol pyran carboxylic acid or derivatives n-acyl-alpha-amino acid hippuric acid or derivatives benzoic acid or derivatives hydroxy acid secondary amine carboxamide group secondary aliphatic/aromatic amine oxacycle secondary carboxylic acid amide pyran secondary alcohol dicarboxylic acid or derivatives phenylalkylamine hydrocarbon derivative benzenoid organic nitrogen compound amine

Showing information for DMID02187997