| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:21 UTC |
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| Update Date | 2025-03-25 00:59:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02238620 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H14O11S |
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| Molecular Mass | 366.0257 |
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| SMILES | O=C(O)C1OC(Oc2cccc(O)c2S(=O)(=O)O)C(O)C(O)C1O |
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| InChI Key | ZXOUNKPKFHTUSY-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-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalsarylsulfonic 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-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidebenzenesulfonateorganosulfur compoundcarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetaloxaneorganoheterocyclic compoundbenzenesulfonyl groupalcoholpyran carboxylic acid or derivativeshydroxy acid1-hydroxy-4-unsubstituted benzenoidoxacyclemonocarboxylic acid or derivativessulfonylarylsulfonic acid or derivativesorganic sulfonic acid or derivativespyransecondary alcoholphenolhydrocarbon derivativebenzenoidphenoxy compound |
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