| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:57:18 UTC |
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| Update Date | 2025-03-25 00:52:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02195025 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H14N2OS |
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| Molecular Mass | 198.0827 |
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| SMILES | CCCCCSc1nccc(=O)[nH]1 |
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| InChI Key | NMGGZXMGGSESHM-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 heteromonocyclic compounds |
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| Alternative Parents | alkylarylthioethersazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeslactamsorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyrimidonessulfenyl compounds |
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| Substituents | lactamsulfenyl compoundaromatic heteromonocyclic compoundazacycleheteroaromatic compoundpyrimidonealkylarylthioetheraryl thioetherpyrimidineorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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