| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:44:56 UTC |
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| Update Date | 2025-03-25 00:48:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02166923 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C29H35ClN4O5 |
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| Molecular Mass | 554.2296 |
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| SMILES | CC(C)(C)OC(=O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4)O3)cc2)CC1 |
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| InChI Key | RXDDVFJGJNCLTJ-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 compoundscarbamate esterscarbonyl compoundschlorobenzenesdialkylarylaminesheteroaromatic compoundshydrocarbon derivativesimidazolesketalsn-arylpiperazinesn-substituted imidazolesorganic carbonic acids and derivativesorganic oxidesorganochloridesorganopnictogen compoundsoxacyclic compoundsphenoxy compoundspiperazine carboxylic acids |
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| Substituents | piperazine-1-carboxylic acidphenol ethermonocyclic benzene moietymeta-dioxolanecarbonyl groupetheraromatic heteromonocyclic compoundorganochloridealkyl aryl etherorganohalogen compoundorganic oxideacetalimidazoleketaltertiary aliphatic/aromatic amineorganonitrogen compoundorganopnictogen compounddialkylarylamineaminophenyl ethertertiary amineazolen-substituted imidazolearyl chloridechlorobenzenecarbonic acid derivativeazacycleaniline or substituted anilinesheteroaromatic compoundcarbamic acid esteraryl halidephenylpiperazineoxacycleorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzenephenoxy compoundaminen-arylpiperazineorganooxygen compound |
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