| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:40 UTC |
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| Update Date | 2025-03-25 00:54:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02207348 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H7NO5S2 |
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| Molecular Mass | 236.9766 |
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| SMILES | Nc1ccc(S(=O)O)c(S(=O)(=O)O)c1 |
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| InChI Key | HAUVPIWPXXTMJK-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-sulfo,2-unsubstituted aromatic compoundsarylsulfonic acids and derivativesbenzenesulfonyl compoundshydrocarbon derivativesorganic oxidesorganopnictogen compoundsorganosulfonic acidsprimary aminessulfinic acidssulfonyls |
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| Substituents | organosulfonic acid or derivatives1-sulfo,2-unsubstituted aromatic compoundsulfinic acid derivativeorganosulfonic acidbenzenesulfonateorganosulfur compoundsulfinic acidaromatic homomonocyclic compoundorganic oxidesulfonylarylsulfonic acid or derivativesorganic oxygen compoundorganic sulfonic acid or derivativesorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundaminebenzenesulfonyl group |
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