| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:41:05 UTC |
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| Update Date | 2025-03-25 00:46:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02158167 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H9NO9S2 |
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| Molecular Mass | 326.9719 |
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| SMILES | O=C(O)CN(c1ccc(OS(=O)(=O)O)cc1)S(=O)(=O)O |
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| InChI Key | FILWKYOTFUNZPG-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 | phenylsulfates |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundssulfanilidessulfuric acid monoamidessulfuric acid monoesters |
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| Substituents | monocyclic benzene moietysulfuric acid monoestercarbonyl groupcarboxylic acidalpha-amino acid or derivativescarboxylic acid derivativephenylsulfateorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundaromatic homomonocyclic compoundsulfanilidemonocarboxylic acid or derivativesorganic oxygen compoundsulfuric acid monoamidesulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundsulfuric acid esterorganooxygen compound |
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