DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:15:42 UTC
Update Date	2025-03-25 00:59:26 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02237167
Frequency	0.5
Structure
Chemical Formula	C₁₉H₂₆N₂O₁₁
Molecular Mass	458.1537
SMILES	O=C(NC(Cc1ccccc1)C(=O)O)NC1C(O)CC(O)(C(=O)O)OC1C(O)C(O)CO
InChI Key	TZGSRZDEYQXSRR-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 dicarboxylic acids and derivatives hemiacetals hydrocarbon derivatives n-carbamoyl-alpha amino acids organic carbonic acids and derivatives organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes phenylpropanoic acids primary alcohols pyran carboxylic acids secondary alcohols
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid aromatic heteromonocyclic compound 3-phenylpropanoic-acid alpha-hydroxy acid pyran carboxylic acid organic oxide n-carbamoyl-alpha-amino acid or derivatives organonitrogen compound alpha-amino acid organopnictogen compound hemiacetal oxane primary alcohol organoheterocyclic compound amphetamine or derivatives c-glucuronide alcohol carbonic acid derivative pyran carboxylic acid or derivatives n-carbamoyl-alpha-amino acid hydroxy acid oxacycle phenylalanine or derivatives organic oxygen compound pyran secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound

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