| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:14:21 UTC |
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| Update Date | 2025-03-21 18:33:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00096468 |
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| Frequency | 28.7 |
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| Structure | |
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| Chemical Formula | C8H10N2O4S |
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| Molecular Mass | 230.0361 |
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| SMILES | O=C(NCCS(=O)(=O)O)c1cccnc1 |
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| InChI Key | PWDVAASLIBJOHR-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 | azacyclic compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesnicotinamidesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsorganosulfonic acidssecondary carboxylic acid amidessulfonyls |
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| Substituents | pyridine carboxylic acid or derivativesorganosulfonic acid or derivativesaromatic heteromonocyclic compoundazacyclenicotinamideheteroaromatic compoundorganosulfonic acidhydroxypyridineorganosulfur compoundcarboxamide groupcarboxylic acid derivativesecondary carboxylic acid amideorganic oxidesulfonylorganic oxygen compoundorganic sulfonic acid or derivativesorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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