DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:53:28 UTC
Update Date	2025-03-25 00:51:21 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02186419
Frequency	0.5
Structure
Chemical Formula	C₁₇H₂₂N₂O₉
Molecular Mass	398.1325
SMILES	NC1C(O)CC(O)(C(=O)O)OC1C(O)C(=O)NC(Cc1ccccc1)C(=O)O
InChI Key	JVMUIUKULMJKSQ-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	phenylalanine and derivatives
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	alpha amino acids alpha hydroxy acids and derivatives amphetamines and derivatives benzene and substituted derivatives c-glucuronides carbonyl compounds carboxylic acids delta amino acids and derivatives dicarboxylic acids and derivatives gamma amino acids and derivatives hemiacetals hydrocarbon derivatives monoalkylamines n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes phenylpropanoic acids pyran carboxylic acids secondary alcohols secondary carboxylic acid amides
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid aromatic heteromonocyclic compound 3-phenylpropanoic-acid gamma amino acid or derivatives alpha-hydroxy acid pyran carboxylic acid organic oxide organonitrogen compound alpha-amino acid organopnictogen compound hemiacetal delta amino acid or derivatives oxane organoheterocyclic compound amphetamine or derivatives n-acyl-alpha amino acid or derivatives c-glucuronide alcohol pyran carboxylic acid or derivatives n-acyl-alpha-amino acid hydroxy acid carboxamide group oxacycle secondary carboxylic acid amide phenylalanine or derivatives organic oxygen compound pyran secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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