| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:24:21 UTC |
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| Update Date | 2025-03-21 18:38:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00120786 |
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| Frequency | 21.5 |
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| Structure | |
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| Chemical Formula | C10H11NO4S |
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| Molecular Mass | 241.0409 |
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| SMILES | Cc1ncc(CSCC(=O)O)c(C=O)c1O |
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| InChI Key | ISLFZBIUNDEWBW-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 compoundscarboxylic acidsdialkylthioethersheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinespyridine carboxaldehydessulfenyl compoundsvinylogous acids |
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| Substituents | pyridine carboxylic acid or derivativescarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundpolyhalopyridineorganosulfur compoundcarboxylic acid derivativeorganic oxidearyl-aldehydeorganonitrogen compoundorganopnictogen compound2-halopyridinesulfenyl compoundazacycledialkylthioetherheteroaromatic compoundhydroxypyridinealdehyde4-pyridine carboxaldehydevinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundthioetherhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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