DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:30:49 UTC
Update Date	2025-03-21 18:41:45 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00135923
Frequency	18.5
Structure
Chemical Formula	C₂₀H₁₈N₂O₉
Molecular Mass	430.1012
SMILES	O=C(O)C1=CC(=CC=NC(Cc2ccc(O)cc2)C(=O)O)C=C(C(=O)O)C(C(=O)O)N1
InChI Key	DHNVHHQQLZNIOC-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 azepines benzene and substituted derivatives carbonyl compounds carboxylic acids dialkylamines hydrocarbon derivatives organic oxides organopnictogen compounds phenylalanine and derivatives phenylpropanoic acids propargyl-type 1,3-dipolar organic compounds tetracarboxylic 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 propargyl-type 1,3-dipolar organic compound aldimine organic oxide organonitrogen compound alpha-amino acid organopnictogen compound organoheterocyclic compound amphetamine or derivatives secondary aliphatic amine tyrosine or derivatives azacycle tetracarboxylic acid or derivatives organic 1,3-dipolar compound secondary amine phenylalanine or derivatives organic oxygen compound azepine phenol hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound amine

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