DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:01:31 UTC
Update Date	2025-03-25 00:54:12 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02204711
Frequency	0.5
Structure
Chemical Formula	C₁₇H₁₇N₃O₇
Molecular Mass	375.1066
SMILES	O=CC(Cc1ccc(O)c(O)c1)N=CC=C1C=C(C(=O)O)NC(C(=O)O)N1
InChI Key	QHVUJBRLZPYQOE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	benzenoids
Class	benzene and substituted derivatives
Subclass	phenethylamines
Direct Parent	amphetamines and derivatives
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids aldehydes aldimines alpha amino acids amino acids azacyclic compounds benzene and substituted derivatives carboxylic acids dialkylamines dicarboxylic acids and derivatives hydrocarbon derivatives hydropyrimidines organic oxides organopnictogen compounds propargyl-type 1,3-dipolar organic compounds
Substituents	carbonyl group carboxylic acid aromatic heteromonocyclic compound amino acid or derivatives amino acid imine 1-hydroxy-2-unsubstituted benzenoid alpha-amino acid or derivatives carboxylic acid derivative propargyl-type 1,3-dipolar organic compound aldimine organic oxide organonitrogen compound hydropyrimidine alpha-amino acid organopnictogen compound organoheterocyclic compound amphetamine or derivatives secondary aliphatic amine azacycle aldehyde organic 1,3-dipolar compound 1-hydroxy-4-unsubstituted benzenoid secondary amine 1,2,3,4-tetrahydropyrimidine organic oxygen compound dicarboxylic acid or derivatives phenol hydrocarbon derivative organic nitrogen compound organooxygen compound amine

Showing information for DMID02204711