| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:27:55 UTC |
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| Update Date | 2025-03-21 18:40:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00129248 |
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| Frequency | 19.7 |
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| Structure | |
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| Chemical Formula | C8H11NO5S |
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| Molecular Mass | 233.0358 |
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| SMILES | O=Cc1ccc(CO)n1CCS(=O)(=O)O |
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| InChI Key | YZYSUFXLGGTRMP-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | aryl-aldehydes |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | aromatic alcoholsazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonic acidssubstituted pyrrolessulfonyls |
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| Substituents | aromatic alcoholalcoholorganosulfonic acid or derivativesaromatic heteromonocyclic compoundazacycleheteroaromatic compoundorganosulfonic acidsubstituted pyrroleorganosulfur compoundorganic oxidesulfonylaryl-aldehydeorganic sulfonic acid or derivativespyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compound |
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