DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:14:07 UTC
Update Date	2025-03-21 18:33:27 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00095882
Frequency	28.9
Structure
Chemical Formula	C₂₀H₂₀N₂O₅
Molecular Mass	368.1372
SMILES	O=C(NC(Cc1ccc(O)cc1)C(=O)O)C(O)Cc1c[nH]c2ccccc12
InChI Key	ZOGMUJNVPNFATA-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 heteropolycyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids alpha amino acids amphetamines and derivatives azacyclic compounds benzene and substituted derivatives carbonyl compounds carboxylic acids fatty amides heteroaromatic compounds hydrocarbon derivatives indoles monocarboxylic acids and derivatives n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds phenylalanine and derivatives phenylpropanoic acids pyrroles secondary alcohols secondary carboxylic acid amides
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid 3-phenylpropanoic-acid indole fatty amide 1-hydroxy-2-unsubstituted benzenoid organic oxide aromatic heteropolycyclic compound organonitrogen compound alpha-amino acid organopnictogen compound organoheterocyclic compound amphetamine or derivatives n-acyl-alpha amino acid or derivatives alcohol tyrosine or derivatives azacycle n-acyl-alpha-amino acid heteroaromatic compound indole or derivatives carboxamide group secondary carboxylic acid amide monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound pyrrole secondary alcohol phenol hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound

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