| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:17 UTC |
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| Update Date | 2025-03-25 00:59:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02238479 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H9NO7S |
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| Molecular Mass | 263.01 |
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| SMILES | O=C(O)c1cc(C(=O)O)n(CCS(=O)(=O)O)c1 |
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| InChI Key | WJYYHHYCXAPKRD-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 | pyrroles |
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| Subclass | pyrrole carboxylic acids and derivatives |
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| Direct Parent | pyrrole 2-carboxylic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsorganosulfonic acidssubstituted pyrrolessulfonylsvinylogous amides |
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| Substituents | organosulfonic acid or derivativescarboxylic acidaromatic heteromonocyclic compoundorganosulfonic acidsubstituted pyrroleorganosulfur compoundcarboxylic acid derivativeorganic oxidepyrrole-2-carboxylic acidorganonitrogen compoundorganopnictogen compoundvinylogous amideazacycleheteroaromatic compoundsulfonylorganic oxygen compoundorganic sulfonic acid or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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