DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:04:10 UTC
Update Date	2025-03-21 18:28:29 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00072154
Frequency	51.3
Structure
Chemical Formula	C₁₇H₁₆N₂O₇
Molecular Mass	360.0958
SMILES	O=C1CC(=CC=NC(Cc2ccc(O)c(O)c2)C(=O)O)C=C(C(=O)O)N1
InChI Key	CDZYMMLSKWGKNR-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 heteromonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids aldimines alpha amino acids amphetamines and derivatives azacyclic compounds benzene and substituted derivatives carbonyl compounds carboxylic acids dicarboxylic acids and derivatives hydrocarbon derivatives lactams organic oxides organopnictogen compounds phenylalanine and derivatives phenylpropanoic acids propargyl-type 1,3-dipolar organic compounds secondary carboxylic acid amides tetrahydropyridines
Substituents	monocyclic benzene moiety carbonyl group lactam carboxylic acid aromatic heteromonocyclic compound 3-phenylpropanoic-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 amphetamine or derivatives tyrosine or derivatives azacycle tetrahydropyridine organic 1,3-dipolar compound 1-hydroxy-4-unsubstituted benzenoid carboxamide group secondary carboxylic acid amide phenylalanine or derivatives organic oxygen compound dicarboxylic acid or derivatives phenol hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound

Showing information for DMID00072154