DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:02:40 UTC
Update Date	2025-03-25 00:54:35 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02207311
Frequency	0.5
Structure
Chemical Formula	C₂₄H₂₅N₇O₄
Molecular Mass	475.1968
SMILES	Nc1nc2c(c(=O)[nH]1)N1CN(c3ccc(C(Cc4ccccc4)NC(=O)C(=O)O)cc3)CC1CN2
InChI Key	RCASCNUSIYWUTI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	phenylpropanoids and polyketides
Class	stilbenes
Subclass	stilbenes
Direct Parent	stilbenes
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	alpha amino acids amino acids amphetamines and derivatives aniline and substituted anilines azacyclic compounds carbonyl compounds carboxylic acids dialkylarylamines heteroaromatic compounds hydrocarbon derivatives imidazopyrazines imidolactams lactams monocarboxylic acids and derivatives organic oxides organopnictogen compounds phenylimidazolidines primary amines pterins and derivatives pyrimidones secondary alkylarylamines secondary carboxylic acid amides vinylogous amides
Substituents	imidazolidine monocyclic benzene moiety carbonyl group lactam carboxylic acid phenylimidazolidine imidazopyrazine amino acid or derivatives amino acid pyrimidone alpha-amino acid or derivatives carboxylic acid derivative pyrimidine organic oxide aromatic heteropolycyclic compound organonitrogen compound alpha-amino acid organopnictogen compound dialkylarylamine imidolactam organoheterocyclic compound amphetamine or derivatives vinylogous amide pterin azacycle aniline or substituted anilines heteroaromatic compound secondary amine carboxamide group secondary aliphatic/aromatic amine secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative benzenoid primary amine organic nitrogen compound amine organooxygen compound stilbene

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