| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:37:42 UTC |
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| Update Date | 2025-03-21 17:57:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00010118 |
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| Frequency | 469.6 |
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| Structure | |
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| Chemical Formula | C25H28Cl2N4O3 |
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| Molecular Mass | 502.1538 |
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| SMILES | CN1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 |
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| InChI Key | VPEMJXGVMNRVMM-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | diazinanes |
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| Subclass | piperazines |
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| Direct Parent | phenylpiperazines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1,3-dioxolanesalkyl aryl ethersaminophenyl ethersaniline and substituted anilinesaryl chloridesazacyclic compoundsdialkylarylaminesdichlorobenzenesheteroaromatic compoundshydrocarbon derivativesimidazolesketalsn-arylpiperazinesn-methylpiperazinesn-substituted imidazolesorganochloridesorganopnictogen compoundsoxacyclic compoundsphenoxy compoundstrialkylamines |
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| Substituents | phenol ethermonocyclic benzene moietymeta-dioxolaneetheraromatic heteromonocyclic compoundorganochloridealkyl aryl etherorganohalogen compound1,3-dichlorobenzeneacetalimidazoleketaltertiary aliphatic/aromatic amineorganonitrogen compoundorganopnictogen compounddialkylarylamineaminophenyl ethertertiary amineazolen-substituted imidazolearyl chloridechlorobenzeneazacycleaniline or substituted anilinesn-alkylpiperazineheteroaromatic compoundtertiary aliphatic aminen-methylpiperazinearyl halidephenylpiperazineoxacycleorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzenephenoxy compoundaminen-arylpiperazineorganooxygen compound |
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