| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:40 UTC |
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| Update Date | 2025-03-25 00:46:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02152701 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H9N3O4S |
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| Molecular Mass | 231.0314 |
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| SMILES | N=C(N)Nc1cc(S(=O)(=O)O)ccc1O |
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| InChI Key | BAXMMFURHTUTMO-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 | benzenesulfonic acids and derivatives |
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| Direct Parent | benzenesulfonic acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-sulfo,2-unsubstituted aromatic compoundsarylsulfonic acids and derivativesbenzenesulfonyl compoundscarboximidamidesguanidineshydrocarbon derivativesiminesorganic oxidesorganooxygen compoundsorganopnictogen compoundsorganosulfonic acidssulfonyls |
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| Substituents | organosulfonic acid or derivativesguanidineimineorganosulfonic acid1-hydroxy-2-unsubstituted benzenoidbenzenesulfonateorganosulfur compoundorganic oxideorganonitrogen compoundorganopnictogen compoundbenzenesulfonyl group1-sulfo,2-unsubstituted aromatic compoundcarboximidamidearomatic homomonocyclic compoundsulfonylorganic oxygen compoundarylsulfonic acid or derivativesorganic sulfonic acid or derivativesphenolhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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