| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:51:01 UTC |
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| Update Date | 2025-03-21 18:02:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00040966 |
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| Frequency | 84.1 |
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| Structure | |
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| Chemical Formula | C6H7NO5S |
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| Molecular Mass | 205.0045 |
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| SMILES | Cn1cc(OS(=O)(=O)O)ccc1=O |
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| InChI Key | ANESFJIEXNTXJF-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | organic sulfuric acids and derivatives |
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| Subclass | arylsulfates |
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| Direct Parent | arylsulfates |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativeshydroxypyridineslactamsorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyridinonessulfuric acid monoesters |
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| Substituents | sulfuric acid monoesterlactamaromatic heteromonocyclic compoundazacycleheteroaromatic compoundhydroxypyridineorganic oxidepyridineorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundsulfate-esterhydrocarbon derivativearylsulfateorganic nitrogen compoundsulfuric acid esterpyridinoneorganoheterocyclic compoundorganooxygen compound |
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