| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:58:32 UTC |
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| Update Date | 2025-03-25 00:53:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02197862 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H9N3O5S2 |
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| Molecular Mass | 290.9984 |
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| SMILES | CN1NS(=O)(=O)c2cc(S(N)(=O)=O)ccc2C1=O |
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| InChI Key | XKHORTJPDJDPKY-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | Not Available |
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| Subclass | benzenoids |
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| Direct Parent | benzenoids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | aminosulfonyl compoundsazacyclic compoundscarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsorganosulfonamides |
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| Substituents | organosulfonic acid or derivativesazacycleaminosulfonyl compoundorganosulfur compoundcarboxylic acid derivativeorganosulfonic acid amideorganic oxidesulfonylorganic oxygen compoundaromatic heteropolycyclic compoundorganic sulfonic acid or derivativesorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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