DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:22:13 UTC
Update Date	2025-03-25 01:01:52 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02252191
Frequency	0.5
Structure
Chemical Formula	C₁₉H₁₆N₂O₆
Molecular Mass	368.1008
SMILES	NC(Cc1ccc(Oc2ccc3c(=O)cc(C(=O)O)[nH]c3c2)cc1)C(=O)O
InChI Key	FATSCPNLMUAMGS-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 heteropolycyclic compounds
Alternative Parents	2-halopyridines alpha amino acids amphetamines and derivatives azacyclic compounds carbonyl compounds carboxylic acids diarylethers dicarboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives hydroquinolines hydroquinolones hydroxypyridines monoalkylamines organic oxides organonitrogen compounds organopnictogen compounds phenol ethers phenoxy compounds phenylpropanoic acids polyhalopyridines pyridine-2-carboxylic acids quinoline carboxylic acids vinylogous amides
Substituents	diaryl ether pyridine carboxylic acid or derivatives phenol ether monocyclic benzene moiety carbonyl group ether carboxylic acid 3-phenylpropanoic-acid polyhalopyridine organic oxide pyridine-2-carboxylic acid aromatic heteropolycyclic compound quinoline organonitrogen compound alpha-amino acid organopnictogen compound 2-halopyridine organoheterocyclic compound amphetamine or derivatives vinylogous amide azacycle heteroaromatic compound hydroxypyridine dihydroquinoline dihydroquinolone pyridine phenylalanine or derivatives organic oxygen compound pyridine carboxylic acid dicarboxylic acid or derivatives quinoline-2-carboxylic acid hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound phenoxy compound organooxygen compound

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