| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:30:57 UTC |
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| Update Date | 2025-03-21 18:41:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00136248 |
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| Frequency | 35.0 |
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| Structure | |
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| Chemical Formula | C7H6N2O3S |
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| Molecular Mass | 198.0099 |
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| SMILES | O=S(=O)(O)c1ccc2[nH]cnc2c1 |
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| InChI Key | VXLKZBRLFFGAQT-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 oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonic acidssulfonyls |
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| Substituents | organosulfonic acid or derivatives1-sulfo,2-unsubstituted aromatic compoundazacycleheteroaromatic compoundorganosulfonic acidorganosulfur compoundorganic oxidesulfonylarylsulfonic acid or derivativesorganic oxygen compoundaromatic heteropolycyclic compoundorganic sulfonic acid or derivativesbenzimidazoleimidazoleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundazole |
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