| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:37 UTC |
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| Update Date | 2025-03-25 00:51:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02186769 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C5H7N3O3S |
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| Molecular Mass | 189.0208 |
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| SMILES | Nc1ccc(S(=O)(=O)O)c(N)n1 |
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| InChI Key | CNQMGYRFDSCXTL-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | organic sulfonic acids and derivatives |
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| Subclass | organosulfonic acids and derivatives |
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| Direct Parent | arylsulfonic acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-sulfo,2-unsubstituted aromatic compounds2-halopyridinesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesimidolactamsorganic oxidesorganopnictogen compoundsorganosulfonic acidspolyhalopyridinesprimary aminessulfonyls |
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| Substituents | aromatic heteromonocyclic compoundpolyhalopyridineorganosulfonic acidorganosulfur compoundorganic oxideorganonitrogen compoundorganopnictogen compound2-halopyridineimidolactamorganoheterocyclic compound1-sulfo,2-unsubstituted aromatic compoundazacycleheteroaromatic compoundhydroxypyridinesulfonylpyridinearylsulfonic acid or derivativesorganic oxygen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundamine |
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