| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:29 UTC |
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| Update Date | 2025-03-25 00:50:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02179614 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H12O9S |
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| Molecular Mass | 284.0202 |
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| SMILES | CS(=O)C(=O)OC1OC(C(=O)O)C(O)C(O)C1O |
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| InChI Key | DJMDTSVGFVNXAE-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 | aliphatic heteromonocyclic compounds |
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| Alternative Parents | acetalsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsglucuronic acid derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesmonothioacetalsorganic carbonic acids and derivativesorganic oxidesoxacyclic compoundsoxanespyran carboxylic acidssecondary alcoholssulfinyl compoundssulfoxidesthiolactones |
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| Substituents | carbonyl groupcarboxylic acido-glucuronidemonosaccharideorganosulfur compoundcarboxylic acid derivativepyran carboxylic acidmonothioacetal1-o-glucuronidebeta-hydroxy acidorganic oxideacetalsulfinyl compoundaliphatic heteromonocyclic compoundoxanethiolactoneorganoheterocyclic compoundalcoholcarbonic acid derivativepyran carboxylic acid or derivativeshydroxy acidoxacyclemonocarboxylic acid or derivativespyransulfoxidesecondary alcoholhydrocarbon derivative |
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