DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:16:15 UTC
Update Date	2025-03-25 00:59:38 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02238388
Frequency	0.5
Structure
Chemical Formula	C₁₉H₂₀N₂O₈
Molecular Mass	404.122
SMILES	O=C(O)C1=CC(=CC=NC(Cc2ccccc2O)C(O)C(=O)O)CC(C(=O)O)N1
InChI Key	HXZQBLQXUDNYTA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	benzenoids
Class	benzene and substituted derivatives
Subclass	phenethylamines
Direct Parent	amphetamines and derivatives
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids aldimines alpha amino acids alpha hydroxy acids and derivatives amino acids azacyclic compounds benzene and substituted derivatives carbonyl compounds carboxylic acids dialkylamines hydrocarbon derivatives monosaccharides organic oxides organopnictogen compounds propargyl-type 1,3-dipolar organic compounds secondary alcohols tetrahydropyridines tricarboxylic acids and derivatives
Substituents	carbonyl group carboxylic acid aromatic heteromonocyclic compound amino acid or derivatives amino acid imine alpha-hydroxy acid 1-hydroxy-2-unsubstituted benzenoid monosaccharide tricarboxylic acid or derivatives alpha-amino acid or derivatives carboxylic acid derivative propargyl-type 1,3-dipolar organic compound aldimine saccharide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound organoheterocyclic compound amphetamine or derivatives alcohol secondary aliphatic amine azacycle tetrahydropyridine organic 1,3-dipolar compound hydroxy acid 1-hydroxy-4-unsubstituted benzenoid secondary amine organic oxygen compound secondary alcohol phenol hydrocarbon derivative organic nitrogen compound organooxygen compound amine

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