| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:47:19 UTC |
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| Update Date | 2025-03-21 18:50:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00174824 |
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| Frequency | 33.0 |
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| Structure | |
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| Chemical Formula | C7H6N2O4S |
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| Molecular Mass | 214.0048 |
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| SMILES | O=c1[nH]c2cccc(S(=O)(=O)O)c2[nH]1 |
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| InChI Key | NDGRPJRHNYJMAE-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | benzimidazoles |
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| Subclass | benzimidazoles |
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| Direct Parent | benzimidazoles |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-sulfo,2-unsubstituted aromatic compoundsarylsulfonic acids and derivativesazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativesimidazolesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsorganosulfonic acidssulfonyls |
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| Substituents | organosulfonic acid or derivativescarbonic acid derivative1-sulfo,2-unsubstituted aromatic compoundazacycleorganosulfonic acidheteroaromatic compoundorganosulfur compoundorganic oxidesulfonylarylsulfonic acid or derivativesorganic oxygen compoundaromatic heteropolycyclic compoundorganic sulfonic acid or derivativesbenzimidazoleimidazoleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundazole |
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