DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:04:22 UTC
Update Date	2025-03-25 00:55:16 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02211416
Frequency	0.5
Structure
Chemical Formula	C₁₄H₁₈N₂O₈
Molecular Mass	342.1063
SMILES	CC(=O)Nc1ccc(NC2C(O)OC(C(=O)O)C(O)C2O)cc1O
InChI Key	PHLVFVQCNTWHNY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	carboxylic acids and derivatives
Subclass	amino acids, peptides, and analogues
Direct Parent	delta amino acids and derivatives
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1,2-diols 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids acetamides acetanilides amino acids beta hydroxy acids and derivatives carbonyl compounds carboxylic acids hemiacetals hydrocarbon derivatives monocarboxylic acids and derivatives monosaccharides n-acetylarylamines 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 carboxylic acid n-acetylarylamine aromatic heteromonocyclic compound amino acid 1-hydroxy-2-unsubstituted benzenoid monosaccharide n-arylamide pyran carboxylic acid beta-hydroxy acid saccharide organic oxide organonitrogen compound organopnictogen compound hemiacetal delta amino acid or derivatives oxane organoheterocyclic compound acetamide 1,2-diol alcohol pyran carboxylic acid or derivatives acetanilide hydroxy acid 1-hydroxy-4-unsubstituted benzenoid secondary amine carboxamide group secondary aliphatic/aromatic amine anilide oxacycle secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound pyran secondary alcohol phenylalkylamine phenol hydrocarbon derivative benzenoid organic nitrogen compound amine organooxygen compound

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