| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:48:43 UTC |
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| Update Date | 2025-03-21 18:01:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00035456 |
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| Frequency | 117.1 |
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| Structure | |
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| Chemical Formula | C8H9N3O3S |
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| Molecular Mass | 227.0365 |
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| SMILES | COc1ccc2nc(S(N)(=O)=O)[nH]c2c1 |
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| InChI Key | PSCKLIGHFBSIIL-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 | sulfinylbenzimidazoles |
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| Direct Parent | sulfinylbenzimidazoles |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl aryl ethersaminosulfonyl compoundsanisolesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidazolesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonamides |
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| Substituents | phenol etherorganosulfonic acid or derivativesetheralkyl aryl ethersulfinylbenzimidazoleorganosulfur compoundorganosulfonic acid amideorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundazoleazacycleaminosulfonyl compoundheteroaromatic compoundsulfonylorganic oxygen compoundorganic sulfonic acid or derivativesanisolehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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