DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:51:03 UTC
Update Date	2025-03-25 00:50:26 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02180920
Frequency	0.5
Structure
Chemical Formula	C₂₀H₂₂N₂O₆
Molecular Mass	386.1478
SMILES	O=C(O)CCC(Cc1ccccc1)N=CC=C1C=C(C(=O)O)NC(C(=O)O)C1
InChI Key	WBMGLDFRKQPSBH-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	gamma amino acids and derivatives
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	aldimines alpha amino acids amino acids amphetamines and derivatives azacyclic compounds benzene and substituted derivatives carbonyl compounds carboxylic acids dialkylamines hydrocarbon derivatives organic oxides organopnictogen compounds propargyl-type 1,3-dipolar organic compounds tetrahydropyridines tricarboxylic acids and derivatives
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid aromatic heteromonocyclic compound amino acid gamma amino acid or derivatives imine tricarboxylic acid or derivatives alpha-amino acid or derivatives 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 azacycle tetrahydropyridine organic 1,3-dipolar compound secondary amine organic oxygen compound hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound amine

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