DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:57:01 UTC
Update Date	2025-03-21 18:05:08 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00055088
Frequency	58.2
Structure
Chemical Formula	C₁₅H₁₄N₂O₅
Molecular Mass	302.0903
SMILES	O=C(O)C1=CC(=CC=Nc2ccccc2O)CC(C(=O)O)N1
InChI Key	KGFZBUPVACXGAE-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	alpha amino acids
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids aldimines amino acids azacyclic compounds benzene and substituted derivatives carbonyl compounds carboxylic acids dialkylamines dicarboxylic acids and derivatives hydrocarbon derivatives organic oxides organopnictogen compounds propargyl-type 1,3-dipolar organic compounds tetrahydropyridines
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid aromatic heteromonocyclic compound 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 secondary aliphatic amine azacycle tetrahydropyridine organic 1,3-dipolar compound 1-hydroxy-4-unsubstituted benzenoid secondary amine organic oxygen compound dicarboxylic acid or derivatives phenol hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound amine

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