| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:54 UTC |
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| Update Date | 2025-03-25 00:51:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02185083 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H8N4O2S |
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| Molecular Mass | 200.0368 |
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| SMILES | NC(=O)CSc1nc(N)cc(O)n1 |
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| InChI Key | CBBCHLPSCAAGDP-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 | alkylarylthioethersamino acids and derivativesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyrimidinesimidolactamsorganic oxidesorganopnictogen compoundsprimary aminesprimary carboxylic acid amidessulfenyl compounds |
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| Substituents | primary carboxylic acid amidecarbonyl grouparomatic heteromonocyclic compoundamino acid or derivativeshydroxypyrimidinealkylarylthioethercarboxylic acid derivativearyl thioetherpyrimidineorganic oxideorganonitrogen compoundorganopnictogen compoundimidolactamorganoheterocyclic compoundsulfenyl compoundazacycleheteroaromatic compoundcarboxamide grouporganic oxygen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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