DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:08:17 UTC
Update Date	2025-03-21 18:30:20 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00082062
Frequency	35.2
Structure
Chemical Formula	C₂₆H₂₈Cl₂N₄O₅
Molecular Mass	546.1437
SMILES	O=C(CO)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1
InChI Key	ZOHQNWNBEQCXIU-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 alcohols and polyols 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 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 1,3-dichlorobenzene organic oxide acetal imidazole ketal tertiary aliphatic/aromatic amine tertiary carboxylic acid amide organonitrogen compound organopnictogen compound dialkylarylamine aminophenyl ether tertiary amine azole n-substituted imidazole aryl chloride chlorobenzene alcohol 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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