DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:36:01 UTC
Update Date	2025-03-21 17:57:11 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00006163
Frequency	845.4
Structure
Chemical Formula	C₂₆H₂₉ClN₄O₄
Molecular Mass	496.1877
SMILES	CC(=O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4)O3)cc2)CC1
InChI Key	DOZXGQAVVNJTKT-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 chlorides azacyclic compounds carbonyl compounds carboxylic acids and derivatives chlorobenzenes dialkylarylamines heteroaromatic compounds hydrocarbon derivatives imidazoles ketals n-arylpiperazines n-substituted imidazoles organic oxides organochlorides organopnictogen compounds oxacyclic compounds phenoxy compounds tertiary carboxylic acid amides
Substituents	phenol ether monocyclic benzene moiety meta-dioxolane carbonyl group ether aromatic heteromonocyclic compound amino acid or derivatives organochloride alkyl aryl ether carboxylic acid derivative organohalogen compound 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 aryl chloride chlorobenzene azacycle 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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