DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:15:43 UTC
Update Date	2025-03-25 00:59:27 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02237219
Frequency	0.5
Structure
Chemical Formula	C₁₈H₁₆N₂O₄
Molecular Mass	324.111
SMILES	O=C(O)C(Cc1ccc(O)cc1)Nc1ccnc2cc(O)ccc12
InChI Key	QXQXTJUNQIBKKW-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 2-halopyridines alpha amino acids amino acids amphetamines and derivatives azacyclic compounds benzene and substituted derivatives carbonyl compounds carboxylic acids heteroaromatic compounds hydrocarbon derivatives hydroxypyridines monocarboxylic acids and derivatives organic oxides organopnictogen compounds phenylalanine and derivatives phenylpropanoic acids polyhalopyridines quinolines and derivatives secondary alkylarylamines
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid 3-phenylpropanoic-acid amino acid polyhalopyridine 1-hydroxy-2-unsubstituted benzenoid organic oxide aromatic heteropolycyclic compound organonitrogen compound quinoline alpha-amino acid organopnictogen compound 2-halopyridine organoheterocyclic compound amphetamine or derivatives tyrosine or derivatives azacycle heteroaromatic compound hydroxypyridine secondary amine secondary aliphatic/aromatic amine monocarboxylic acid or derivatives pyridine phenylalanine or derivatives organic oxygen compound phenol hydrocarbon derivative benzenoid organic nitrogen compound amine organooxygen compound

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