DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:03:37 UTC
Update Date	2025-03-25 00:54:56 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02209585
Frequency	0.5
Structure
Chemical Formula	C₂₃H₂₅N₇O₃
Molecular Mass	447.2019
SMILES	CC(NC(=O)c1ccc(NCC2=Nc3c([nH]c(N)nc3=O)NC2)cc1)C(O)c1ccccc1
InChI Key	SCSAWTGUMZJXNN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organoheterocyclic compounds
Class	pteridines and derivatives
Subclass	pterins and derivatives
Direct Parent	pterins and derivatives
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	amino acids and derivatives aromatic alcohols azacyclic compounds benzamides benzoyl derivatives carboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives ketimines organic oxides organopnictogen compounds phenylalkylamines phenylpropanes primary amines propargyl-type 1,3-dipolar organic compounds pyrimidones secondary alcohols secondary alkylarylamines secondary carboxylic acid amides vinylogous amides
Substituents	aromatic alcohol ketimine monocyclic benzene moiety amino acid or derivatives imine benzoyl pyrimidone carboxylic acid derivative benzamide pyrimidine propargyl-type 1,3-dipolar organic compound phenylpropane organic oxide aromatic heteropolycyclic compound organonitrogen compound organopnictogen compound alcohol vinylogous amide pterin azacycle heteroaromatic compound benzoic acid or derivatives organic 1,3-dipolar compound secondary amine carboxamide group secondary aliphatic/aromatic amine secondary carboxylic acid amide organic oxygen compound secondary alcohol phenylalkylamine hydrocarbon derivative benzenoid primary amine organic nitrogen compound amine organooxygen compound

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