| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:41:51 UTC |
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| Update Date | 2025-03-25 00:47:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02159874 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H9NO3S |
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| Molecular Mass | 235.0303 |
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| SMILES | O=S(=O)(Oc1ccccc1)c1cccnc1 |
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| InChI Key | LHODZSDXKBVWHX-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | organic sulfonic acids and derivatives |
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| Subclass | organosulfonic acids and derivatives |
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| Direct Parent | arylsulfonic acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsorganosulfonic acid estersphenoxy compoundspyridines and derivativessulfonyls |
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| Substituents | monocyclic benzene moietyaromatic heteromonocyclic compoundazacycleheteroaromatic compoundorganosulfur compoundorganosulfonic acid esterorganic oxidesulfonylpyridinearylsulfonic acid or derivativesorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundorganoheterocyclic compoundorganooxygen compound |
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