DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:40:14 UTC
Update Date	2025-03-21 17:58:39 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00015908
Frequency	270.8
Structure
Chemical Formula	C₂₆H₂₉FN₄O₄
Molecular Mass	480.2173
SMILES	CC(=O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(F)cc4)O3)cc2)CC1
InChI Key	AKJIONKRKXSODD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organoheterocyclic compounds
Class	diazinanes
Subclass	piperazines
Direct Parent	phenylpiperazines
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1,3-dioxolanes acetamides alkyl aryl ethers amino acids and derivatives aminophenyl ethers aniline and substituted anilines aryl fluorides azacyclic compounds carbonyl compounds carboxylic acids and derivatives dialkylarylamines fluorobenzenes heteroaromatic compounds hydrocarbon derivatives imidazoles ketals n-arylpiperazines n-substituted imidazoles organic oxides organofluorides organopnictogen compounds oxacyclic compounds phenoxy compounds tertiary carboxylic acid amides
Substituents	aryl fluoride phenol ether monocyclic benzene moiety meta-dioxolane carbonyl group ether aromatic heteromonocyclic compound amino acid or derivatives alkyl aryl ether carboxylic acid derivative organohalogen compound fluorobenzene organic oxide acetal imidazole ketal tertiary aliphatic/aromatic amine tertiary carboxylic acid amide organonitrogen compound organopnictogen compound dialkylarylamine aminophenyl ether tertiary amine acetamide azole n-substituted imidazole azacycle organofluoride aniline or substituted anilines heteroaromatic compound carboxamide group aryl halide phenylpiperazine oxacycle organic oxygen compound hydrocarbon derivative benzenoid organic nitrogen compound halobenzene phenoxy compound amine n-arylpiperazine organooxygen compound

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