| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:56:57 UTC |
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| Update Date | 2025-03-25 00:52:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02194246 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H11NO6S2 |
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| Molecular Mass | 281.0028 |
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| SMILES | CN(C)S(=O)(=O)c1ccc(OS(=O)(=O)O)cc1 |
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| InChI Key | XNIGJXKDIVZEGM-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 | aminosulfonyl compoundsbenzenesulfonamidesbenzenesulfonyl compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsorganosulfonamidesphenoxy compoundssulfuric acid monoesters |
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| Substituents | organosulfonic acid or derivativesmonocyclic benzene moietysulfuric acid monoesterorganosulfur compoundorganosulfonic acid amidephenylsulfateorganic oxideorganonitrogen compoundorganopnictogen compoundbenzenesulfonyl groupbenzenesulfonamideaminosulfonyl compoundaromatic homomonocyclic compoundsulfonylorganic oxygen compoundorganic sulfonic acid or derivativessulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundsulfuric acid esterorganooxygen compound |
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