| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:46:08 UTC |
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| Update Date | 2025-03-21 18:00:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00029292 |
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| Frequency | 127.7 |
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| Structure | |
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| Chemical Formula | C6H8NO4S+ |
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| Molecular Mass | 190.0169 |
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| SMILES | C[n+]1cccc(OS(=O)(=O)O)c1 |
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| InChI Key | JGCUNQQLYJMZHE-UHFFFAOYSA-O |
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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 derivativeshydroxypyridinesn-methylpyridinium compoundsorganic cationsorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundssulfuric acid monoesters |
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| Substituents | sulfuric acid monoestern-methylpyridiniumaromatic heteromonocyclic compoundazacycleheteroaromatic compoundhydroxypyridineorganic oxidepyridineorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundsulfate-esterhydrocarbon derivativearylsulfateorganic nitrogen compoundorganic cationsulfuric acid esterorganoheterocyclic compoundorganooxygen compound |
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