| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:48 UTC |
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| Update Date | 2025-03-25 00:54:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02207641 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H11NO9S2 |
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| Molecular Mass | 340.9875 |
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| SMILES | O=C(CCS(=O)(=O)O)Nc1ccc(OS(=O)(=O)O)cc1O |
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| InChI Key | OTTQCOLRYOREKD-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 | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsanilidescarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesn-arylamidesorganic oxidesorganopnictogen compoundsorganosulfonic acidsphenoxy compoundssecondary carboxylic acid amidessulfonylssulfuric acid monoesters |
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| Substituents | organosulfonic acid or derivativesmonocyclic benzene moietysulfuric acid monoestercarbonyl grouporganosulfonic acid1-hydroxy-2-unsubstituted benzenoidn-arylamideorganosulfur compoundcarboxylic acid derivativephenylsulfateorganic oxideorganonitrogen compoundorganopnictogen compound1-hydroxy-4-unsubstituted benzenoidcarboxamide grouparomatic homomonocyclic compoundanilidesecondary carboxylic acid amidesulfonylorganic oxygen compoundorganic sulfonic acid or derivativessulfate-esterphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundsulfuric acid esterorganooxygen compound |
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