DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:47:17 UTC
Update Date	2025-03-25 00:49:08 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02172225
Frequency	0.5
Structure
Chemical Formula	C₁₈H₁₉FN₆O₅
Molecular Mass	418.1401
SMILES	CN1CCN(c2cc3c(cc2F)nc2c(=O)[nH]c(=O)nc-2n3CC(O)C(=O)O)CC1
InChI Key	UZTJWLLLBPEBDB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organoheterocyclic compounds
Class	pteridines and derivatives
Subclass	alloxazines and isoalloxazines
Direct Parent	alloxazines and isoalloxazines
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	alpha hydroxy acids and derivatives amino acids aryl fluorides azacyclic compounds benzenoids carbonyl compounds carboxylic acids dialkylarylamines diazanaphthalenes heteroaromatic compounds hydrocarbon derivatives lactams monocarboxylic acids and derivatives n-arylpiperazines n-methylpiperazines organic carbonic acids and derivatives organic oxides organofluorides organopnictogen compounds pyrazines pyrimidones quinoxalines secondary alcohols trialkylamines
Substituents	aryl fluoride carbonyl group lactam carboxylic acid amino acid or derivatives amino acid alpha-hydroxy acid pyrimidone carboxylic acid derivative organohalogen compound isoalloxazine pyrimidine organic oxide diazanaphthalene piperazine aromatic heteropolycyclic compound tertiary aliphatic/aromatic amine organonitrogen compound organopnictogen compound dialkylarylamine tertiary amine alcohol quinoxaline carbonic acid derivative azacycle organofluoride n-alkylpiperazine heteroaromatic compound tertiary aliphatic amine n-methylpiperazine hydroxy acid aryl halide monocarboxylic acid or derivatives organic oxygen compound pyrazine 1,4-diazinane secondary alcohol hydrocarbon derivative benzenoid organic nitrogen compound amine n-arylpiperazine organooxygen compound

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