| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:46 UTC |
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| Update Date | 2025-03-25 00:51:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02184772 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H13N3O3S |
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| Molecular Mass | 243.0678 |
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| SMILES | N=C(NCCS(=O)(=O)O)Nc1ccccc1 |
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| InChI Key | JSKWHFIGBIMTSF-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 | benzene and substituted derivatives |
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| Subclass | benzene and substituted derivatives |
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| Direct Parent | benzene and substituted derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | carboximidamidesguanidineshydrocarbon derivativesiminesorganic oxidesorganopnictogen compoundsorganosulfonic acidssulfonyls |
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| Substituents | organosulfonic acid or derivativesmonocyclic benzene moietyguanidineimineorganosulfonic acidcarboximidamideorganosulfur compoundaromatic homomonocyclic compoundorganic oxidesulfonylorganic oxygen compoundorganic sulfonic acid or derivativesorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compound |
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