DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:53:05 UTC
Update Date	2025-03-21 18:03:42 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00045964
Frequency	73.1
Structure
Chemical Formula	C₁₉H₂₀N₂O₇
Molecular Mass	388.1271
SMILES	COC(=O)C1=CC(=CC=NC(Cc2ccc(O)cc2)C(=O)O)CC(C(=O)O)N1
InChI Key	HLMZQRGERODLAN-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	tyrosine and derivatives
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids aldimines alpha amino acids amino acids amphetamines and derivatives azacyclic compounds benzene and substituted derivatives carbonyl compounds carboxylic acids dialkylamines enoate esters hydrocarbon derivatives methyl esters organic oxides organopnictogen compounds phenylalanine and derivatives phenylpropanoic acids propargyl-type 1,3-dipolar organic compounds tetrahydropyridines tricarboxylic acids and derivatives
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid aromatic heteromonocyclic compound 3-phenylpropanoic-acid amino acid imine 1-hydroxy-2-unsubstituted benzenoid tricarboxylic acid or derivatives propargyl-type 1,3-dipolar organic compound aldimine alpha,beta-unsaturated carboxylic ester organic oxide methyl ester organonitrogen compound alpha-amino acid organopnictogen compound organoheterocyclic compound amphetamine or derivatives enoate ester secondary aliphatic amine tyrosine or derivatives azacycle tetrahydropyridine organic 1,3-dipolar compound secondary amine phenylalanine or derivatives organic oxygen compound carboxylic acid ester phenol hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound amine

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