DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:07:08 UTC
Update Date	2025-03-25 00:56:21 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02217833
Frequency	0.5
Structure
Chemical Formula	C₂₇H₃₀Cl₂N₄O₄
Molecular Mass	544.1644
SMILES	CC(=O)N1CCN(c2ccc(OCC3(O)CCC(Cn4ccnc4)(c4cc(Cl)ccc4Cl)O3)cc2)CC1
InChI Key	VGIWUBZAMLLQPS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organoheterocyclic compounds
Class	diazinanes
Subclass	piperazines
Direct Parent	phenylpiperazines
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	acetamides alkyl aryl ethers amino acids and derivatives aminophenyl ethers aniline and substituted anilines aryl chlorides azacyclic compounds carbonyl compounds carboxylic acids and derivatives dialkylarylamines dichlorobenzenes hemiacetals heteroaromatic compounds hydrocarbon derivatives imidazoles n-arylpiperazines n-substituted imidazoles organic oxides organochlorides organopnictogen compounds oxacyclic compounds phenoxy compounds tertiary carboxylic acid amides tetrahydrofurans
Substituents	phenol ether monocyclic benzene moiety carbonyl group ether aromatic heteromonocyclic compound amino acid or derivatives organochloride alkyl aryl ether carboxylic acid derivative organohalogen compound organic oxide imidazole tertiary aliphatic/aromatic amine tertiary carboxylic acid amide organonitrogen compound organopnictogen compound hemiacetal dialkylarylamine aminophenyl ether tertiary amine acetamide azole n-substituted imidazole aryl chloride chlorobenzene 1,4-dichlorobenzene azacycle tetrahydrofuran 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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