| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:09 UTC |
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| Update Date | 2025-03-25 01:01:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02249740 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H11N3O3S |
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| Molecular Mass | 241.0521 |
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| SMILES | Cc1cc2[nH]c(=O)n(C)c2cc1S(N)(=O)=O |
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| InChI Key | PQNDWCMYSHZXKX-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 | aminosulfonyl compoundsazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativesimidazolesn-substituted imidazolesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsorganosulfonamides |
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| Substituents | organosulfonic acid or derivativescarbonic acid derivativeazacycleaminosulfonyl compoundheteroaromatic compoundorganosulfur compoundorganosulfonic acid amideorganic oxidesulfonylorganic oxygen compoundaromatic heteropolycyclic compoundorganic sulfonic acid or derivativesbenzimidazoleimidazoleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundazolen-substituted imidazole |
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