| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:08 UTC |
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| Update Date | 2025-03-25 01:01:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02252001 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H8N2O4S |
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| Molecular Mass | 216.0205 |
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| SMILES | O=S(=O)(O)c1cc(O)cc2c1NCN2 |
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| InChI Key | MEKHSIVLUZHXFA-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-hydroxy-2-unsubstituted benzenoids1-sulfo,2-unsubstituted aromatic compoundsarylsulfonic acids and derivativesazacyclic compoundsbenzenoidshydrocarbon derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundsorganosulfonic acidssecondary alkylarylaminessulfonyls |
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| Substituents | organosulfonic acid or derivatives1-sulfo,2-unsubstituted aromatic compoundazacycleorganosulfonic acid1-hydroxy-2-unsubstituted benzenoidorganosulfur compoundsecondary aminesecondary aliphatic/aromatic amineorganic oxidesulfonylorganic oxygen compoundarylsulfonic acid or derivativesaromatic heteropolycyclic compoundorganic sulfonic acid or derivativesbenzimidazoleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamine |
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