Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 00:18:01 UTC |
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Update Date | 2025-03-21 18:35:24 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00105465 |
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Frequency | 25.6 |
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Structure | |
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Chemical Formula | C6H6O7S2 |
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Molecular Mass | 253.9555 |
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SMILES | O=S(=O)(O)Oc1cccc(S(=O)(=O)O)c1 |
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InChI Key | RHQVPDNZPCMPCB-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-sulfo,2-unsubstituted aromatic compoundsarylsulfonic acids and derivativesbenzenesulfonic acids and derivativesbenzenesulfonyl compoundshydrocarbon derivativesorganic oxidesorganooxygen compoundsorganosulfonic acidsphenoxy compoundssulfonylssulfuric acid monoesters |
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Substituents | organosulfonic acid or derivativesmonocyclic benzene moietysulfuric acid monoester1-sulfo,2-unsubstituted aromatic compoundorganosulfonic acidbenzenesulfonateorganosulfur compoundaromatic homomonocyclic compoundphenylsulfateorganic oxidesulfonylarylsulfonic acid or derivativesorganic oxygen compoundorganic sulfonic acid or derivativessulfate-esterhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compoundbenzenesulfonyl group |
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