| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:14 UTC |
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| Update Date | 2025-03-25 00:47:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02160708 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H12N4OS |
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| Molecular Mass | 260.0732 |
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| SMILES | Nc1nc2c(c(=O)[nH]1)NCC(c1ccccc1)S2 |
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| InChI Key | XQSIVMOCWNGVJH-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 | 1,4-thiazinesalkylarylthioethersazacyclic compoundsbenzene and substituted derivativesheteroaromatic compoundshydrocarbon derivativeslactamsorganic oxidesorganooxygen compoundsorganopnictogen compoundsprimary aminespyrimidonessecondary alkylarylaminesvinylogous thioesters |
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| Substituents | monocyclic benzene moietylactampyrimidonealkylarylthioetheraryl thioetherpyrimidineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundvinylogous thioesterpara-thiazineazacycleheteroaromatic compoundsecondary aminesecondary aliphatic/aromatic amineorganic oxygen compoundhydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundamineorganooxygen compound |
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