Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 00:18:00 UTC |
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Update Date | 2025-03-21 18:35:23 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00105425 |
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Frequency | 25.6 |
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Structure | |
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Chemical Formula | C6H6O5S |
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Molecular Mass | 189.9936 |
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SMILES | O=S(=O)(O)c1cc(O)cc(O)c1 |
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InChI Key | KYBQHRJTFDLLFL-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Kingdom | organic compounds |
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Superclass | benzenoids |
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Class | benzene and substituted derivatives |
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Subclass | benzenesulfonic acids and derivatives |
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Direct Parent | benzenesulfonic acids and derivatives |
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Geometric Descriptor | aromatic homomonocyclic compounds |
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Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids1-sulfo,2-unsubstituted aromatic compoundsarylsulfonic acids and derivativesbenzenesulfonyl compoundshydrocarbon derivativesorganic oxidesorganooxygen compoundsorganosulfonic acidsresorcinolssulfonyls |
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Substituents | organosulfonic acid or derivatives1-sulfo,2-unsubstituted aromatic compoundorganosulfonic acid1-hydroxy-2-unsubstituted benzenoidbenzenesulfonate1-hydroxy-4-unsubstituted benzenoidorganosulfur compoundresorcinolaromatic homomonocyclic compoundorganic oxidesulfonylarylsulfonic acid or derivativesorganic oxygen compoundorganic sulfonic acid or derivativesphenolhydrocarbon derivativeorganooxygen compoundbenzenesulfonyl group |
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