| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:27 UTC |
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| Update Date | 2025-03-25 00:53:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02202281 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H10NO3S+ |
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| Molecular Mass | 188.0376 |
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| SMILES | C[n+]1cccc(OS(C)(=O)=O)c1 |
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| InChI Key | VTQNJIWJABDKEB-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 | pyridines and derivatives |
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| Subclass | methylpyridines |
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| Direct Parent | n-methylpyridinium compounds |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativesmethanesulfonatesorganic cationsorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsorganosulfonic acid esterssulfonic acid esterssulfonyls |
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| Substituents | organosulfonic acid or derivativesn-methylpyridiniumaromatic heteromonocyclic compoundazacycleheteroaromatic compoundorganosulfur compoundorganosulfonic acid estersulfonic acid estermethanesulfonateorganic oxidesulfonylorganic oxygen compoundorganic sulfonic acid or derivativesorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic cationorganooxygen compound |
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