DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:14:20 UTC
Update Date	2025-03-25 00:58:58 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02234044
Frequency	0.5
Structure
Chemical Formula	C₁₇H₁₈N₂O₇
Molecular Mass	362.1114
SMILES	O=C(O)C1CC(=CC=NC(C(=O)O)c2ccc(O)cc2)CC(C(=O)O)N1
InChI Key	DBDQXRZJEZXVQN-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 aldimines amino acids azacyclic compounds benzene and substituted derivatives carbonyl compounds carboxylic acids dialkylamines hydrocarbon derivatives organic oxides organopnictogen compounds piperidinecarboxylic acids piperidines propargyl-type 1,3-dipolar organic compounds tricarboxylic acids and derivatives
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid aromatic heteromonocyclic compound amino acid imine 1-hydroxy-2-unsubstituted benzenoid tricarboxylic acid or derivatives propargyl-type 1,3-dipolar organic compound aldimine organic oxide organonitrogen compound alpha-amino acid organopnictogen compound piperidinecarboxylic acid piperidine organoheterocyclic compound secondary aliphatic amine azacycle organic 1,3-dipolar compound secondary amine organic oxygen compound phenol hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound amine

Showing information for DMID02234044