Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 00:16:04 UTC |
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Update Date | 2025-03-21 18:34:25 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00100665 |
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Frequency | 27.2 |
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Structure | |
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Chemical Formula | C22H27N3O2S |
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Molecular Mass | 397.1824 |
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SMILES | OCCOCCN1CCN(C2=Nc3ccccc3CSc3ccccc32)CC1 |
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InChI Key | YBXHDRSPGTUKDA-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Kingdom | organic compounds |
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Superclass | organosulfur compounds |
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Class | thioethers |
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Subclass | aryl thioethers |
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Direct Parent | aryl thioethers |
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Geometric Descriptor | aromatic heteropolycyclic compounds |
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Alternative Parents | alcohols and polyolsalkylarylthioethersamidinesazacyclic compoundsbenzenoidsdialkyl ethershydrocarbon derivativesimidolactamsn-alkylpiperazinesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundstrialkylamines |
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Substituents | etheramidinealkylarylthioetherdialkyl etheraryl thioetherpropargyl-type 1,3-dipolar organic compoundpiperazinearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundimidolactamtertiary amineorganoheterocyclic compoundalcoholazacyclen-alkylpiperazinetertiary aliphatic amineorganic 1,3-dipolar compoundorganic oxygen compound1,4-diazinanehydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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