DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:57:16 UTC
Update Date	2025-03-21 18:05:14 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00055658
Frequency	57.5
Structure
Chemical Formula	C₂₇H₂₉Cl₂N₃O₄
Molecular Mass	529.1535
SMILES	CC(=O)N1CCN(c2ccc(OCC3COC(Cn4cccc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1
InChI Key	UOSJKYHULCNGHV-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 dialkylarylamines dichlorobenzenes heteroaromatic compounds hydrocarbon derivatives ketals n-arylpiperazines organic oxides organochlorides organopnictogen compounds oxacyclic compounds phenoxy compounds substituted pyrroles tertiary carboxylic acid amides
Substituents	phenol ether monocyclic benzene moiety meta-dioxolane carbonyl group ether aromatic heteromonocyclic compound amino acid or derivatives organochloride substituted pyrrole alkyl aryl ether carboxylic acid derivative organohalogen compound 1,3-dichlorobenzene organic oxide acetal ketal tertiary aliphatic/aromatic amine tertiary carboxylic acid amide organonitrogen compound organopnictogen compound dialkylarylamine aminophenyl ether tertiary amine acetamide aryl chloride chlorobenzene azacycle aniline or substituted anilines heteroaromatic compound carboxamide group aryl halide phenylpiperazine oxacycle organic oxygen compound pyrrole hydrocarbon derivative benzenoid organic nitrogen compound halobenzene phenoxy compound amine n-arylpiperazine organooxygen compound

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