| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:58:47 UTC |
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| Update Date | 2025-03-21 18:05:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00059263 |
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| Frequency | 53.1 |
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| Structure | |
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| Chemical Formula | C13H16O7S |
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| Molecular Mass | 316.0617 |
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| SMILES | CSc1ccc(OC2OC(C(=O)O)C(O)C(O)C2O)cc1 |
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| InChI Key | YANQDHPFPLLGDB-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 | acetalsalkylarylthioethersbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsglucuronic acid derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenol ethersphenoxy compoundspyran carboxylic acidssecondary alcoholssulfenyl compoundsthiophenol ethersthiophenols |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundo-glucuronidemonosaccharidealkylarylthioetherorganosulfur compoundcarboxylic acid derivativepyran carboxylic acidaryl thioether1-o-glucuronidebeta-hydroxy acidorganic oxidethiophenolacetalthiophenol etheroxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativessulfenyl compoundhydroxy acidoxacyclemonocarboxylic acid or derivativesthioetherpyransecondary alcoholhydrocarbon derivativebenzenoidphenoxy compound |
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