| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:04:16 UTC |
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| Update Date | 2025-03-25 00:55:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02211192 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C25H28ClN5O4 |
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| Molecular Mass | 497.183 |
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| SMILES | CC(=O)N1CCN(c2ccc(OCC3COC(Cn4cnnc4)(c4ccc(Cl)cc4)O3)cc2)CC1 |
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| InChI Key | QEYDCTFSRIZEJM-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-dioxolanesacetamidesalkyl aryl ethersamino acids and derivativesaminophenyl ethersaniline and substituted anilinesaryl chloridesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativeschlorobenzenesdialkylarylaminesheteroaromatic compoundshydrocarbon derivativesketalsn-arylpiperazinesorganic oxidesorganochloridesorganopnictogen compoundsoxacyclic compoundsphenoxy compoundstertiary carboxylic acid amidestriazoles |
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| Substituents | phenol ethertriazolemonocyclic benzene moietymeta-dioxolanecarbonyl groupetheraromatic heteromonocyclic compoundamino acid or derivativesorganochloridealkyl aryl ethercarboxylic acid derivativeorganohalogen compoundorganic oxideacetalketaltertiary aliphatic/aromatic aminetertiary carboxylic acid amideorganonitrogen compoundorganopnictogen compounddialkylarylamineaminophenyl ethertertiary amineacetamideazolearyl chloridechlorobenzene1,2,4-triazoleazacycleaniline or substituted anilinesheteroaromatic compoundcarboxamide grouparyl halidephenylpiperazineoxacycleorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzenephenoxy compoundaminen-arylpiperazineorganooxygen compound |
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