| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:46:38 UTC |
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| Update Date | 2025-03-25 00:48:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02170749 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H16O10S |
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| Molecular Mass | 364.0464 |
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| SMILES | COC(=O)C1OC(Oc2cc(O)cc(S(=O)O)c2)C(O)C(O)C1O |
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| InChI Key | VQYQZLPLVRFGDH-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 benzenoidsacetalsbeta hydroxy acids and derivativescarbonyl compoundsglucuronic acid derivativeshydrocarbon derivativesmethyl estersmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganosulfur compoundsoxacyclic compoundsoxanesphenol ethersphenoxy compoundspyran carboxylic acidssecondary alcoholssulfinic acids |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl grouparomatic heteromonocyclic compoundsulfinic acid derivativeo-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharideorganosulfur compoundcarboxylic acid derivativepyran carboxylic acidsulfinic acid1-o-glucuronidebeta-hydroxy acidorganic oxidemethyl esteracetaloxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativeshydroxy acid1-hydroxy-4-unsubstituted benzenoidoxacyclemonocarboxylic acid or derivativespyrancarboxylic acid estersecondary alcoholphenolhydrocarbon derivativebenzenoidphenoxy compound |
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