DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:02:05 UTC
Update Date	2025-03-25 00:54:23 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02205988
Frequency	0.5
Structure
Chemical Formula	C₁₇H₂₂N₂O₉
Molecular Mass	398.1325
SMILES	NC(CC(=O)c1ccccc1NCC1OC(C(=O)O)C(O)C(O)C1O)C(=O)O
InChI Key	FWKXMPGVIPPPAS-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	alkyl-phenylketones alpha amino acids amino acids aryl alkyl ketones benzoyl derivatives beta hydroxy acids and derivatives butyrophenones carboxylic acids dialkyl ethers dicarboxylic acids and derivatives gamma-keto acids and derivatives hydrocarbon derivatives monoalkylamines monosaccharides organic oxides organopnictogen compounds oxacyclic compounds oxanes phenylalkylamines pyran carboxylic acids secondary alcohols secondary alkylarylamines vinylogous amides
Substituents	monocyclic benzene moiety carboxylic acid aryl alkyl ketone amino acid or derivatives benzoyl monosaccharide alpha-amino acid or derivatives pyran carboxylic acid dialkyl ether ketone beta-hydroxy acid organonitrogen compound alpha-amino acid oxane organoheterocyclic compound alcohol vinylogous amide phenylketone secondary aliphatic/aromatic amine keto acid dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine amine alkyl-phenylketone aryl ketone carbonyl group ether glucuronic acid or derivatives aromatic heteromonocyclic compound amino acid carboxylic acid derivative organic oxide organopnictogen compound pyran carboxylic acid or derivatives hydroxy acid secondary amine gamma-keto acid butyrophenone oxacycle pyran secondary alcohol phenylalkylamine benzenoid organic nitrogen compound

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