| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:28:41 UTC |
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| Update Date | 2025-03-21 18:40:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00131108 |
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| Frequency | 19.3 |
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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)c1ccccn1 |
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| InChI Key | KRMZRSMWKXXYQV-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-halopyridines2-heteroaryl carboxamidesazacyclic compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsorganosulfonic acidssecondary carboxylic acid amidessulfonyls |
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| Substituents | pyridine carboxylic acid or derivativesorganosulfonic acid or derivativesaromatic heteromonocyclic compoundorganosulfonic acidorganosulfur compoundcarboxylic acid derivative2-heteroaryl carboxamideorganic oxideorganonitrogen compoundorganopnictogen compound2-halopyridineazacycleheteroaromatic compoundhydroxypyridinecarboxamide groupsecondary carboxylic acid amidesulfonylorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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