| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:39 UTC |
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| Update Date | 2025-03-25 01:02:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02253128 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H12O9S |
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| Molecular Mass | 296.0202 |
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| SMILES | O=C(O)C(=O)CSC1OC(C(=O)O)C(O)C(O)C1O |
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| InChI Key | TZBXJRHPFCMFIT-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 | s-glucuronides |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | alpha-hydroxy ketonesalpha-keto acids and derivativesbeta hydroxy acids and derivativescarboxylic acidsdicarboxylic acids and derivativesglucuronic acid derivativeshydrocarbon derivativesmonosaccharidesmonothioacetalsorganic oxidesoxacyclic compoundsoxanespyran carboxylic acidssecondary alcoholssulfenyl compounds |
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| Substituents | carbonyl groups-glucuronidecarboxylic acidmonosaccharideorganosulfur compoundalpha-hydroxy ketonecarboxylic acid derivativepyran carboxylic acidketonemonothioacetalbeta-hydroxy acidorganic oxidealiphatic heteromonocyclic compound1-s-glucuronidealpha-keto acidoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativessulfenyl compoundhydroxy acidoxacyclepyranketo acidsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivative |
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