| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:24:00 UTC |
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| Update Date | 2025-03-21 18:38:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00119974 |
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| Frequency | 21.7 |
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| Structure | |
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| Chemical Formula | C12H14O10S |
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| Molecular Mass | 350.0308 |
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| SMILES | O=C(O)C1OC(Oc2ccc(S(=O)(=O)O)cc2)C(O)C(O)C1O |
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| InChI Key | XTVLYUSQIQAHKD-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbohydrates and carbohydrate conjugates |
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| Direct Parent | o-glucuronides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-sulfo,2-unsubstituted aromatic compoundsacetalsarylsulfonic acids and derivativesbenzenesulfonic acids and derivativesbenzenesulfonyl compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsglucuronic acid derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganosulfonic acidsoxacyclic compoundsoxanesphenol ethersphenoxy compoundspyran carboxylic acidssecondary alcoholssulfonyls |
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| Substituents | phenol etherorganosulfonic acid or derivativesmonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundorganosulfonic acido-glucuronidemonosaccharidebenzenesulfonateorganosulfur compoundcarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetaloxaneorganoheterocyclic compoundbenzenesulfonyl groupalcoholpyran carboxylic acid or derivatives1-sulfo,2-unsubstituted aromatic compoundhydroxy acidoxacyclemonocarboxylic acid or derivativessulfonylarylsulfonic acid or derivativesorganic sulfonic acid or derivativespyransecondary alcoholhydrocarbon derivativebenzenoidphenoxy compound |
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