| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:49:58 UTC |
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| Update Date | 2025-03-21 18:02:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00038490 |
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| Frequency | 90.9 |
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| Structure | |
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| Chemical Formula | C8H9NO5S |
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| Molecular Mass | 231.0201 |
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| SMILES | Cc1ncc(CS(=O)(=O)O)c(C=O)c1O |
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| InChI Key | REMRPHQENUDFGW-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 | pyridinecarboxylic acids and derivatives |
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| Direct Parent | pyridinecarboxylic acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesaryl-aldehydesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsorganosulfonic acidspolyhalopyridinespyridine carboxaldehydessulfonylsvinylogous acids |
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| Substituents | pyridine carboxylic acid or derivativesorganosulfonic acid or derivativesaromatic heteromonocyclic compoundpolyhalopyridineorganosulfonic acidorganosulfur compoundorganic oxidearyl-aldehydeorganonitrogen compoundorganopnictogen compound2-halopyridineazacycleheteroaromatic compoundhydroxypyridinealdehyde4-pyridine carboxaldehydevinylogous acidsulfonylorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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