| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:18:25 UTC |
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| Update Date | 2025-03-21 18:35:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00106460 |
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| Frequency | 25.3 |
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| Structure | |
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| Chemical Formula | C11H14N2O8S |
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| Molecular Mass | 334.0471 |
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| SMILES | O=C(Cc1c[nH]c(=S)[nH]1)OC1OC(C(=O)O)C(O)C(O)C1O |
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| InChI Key | PDHJKWYSLBNVQY-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 | acetalsazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesglucuronic acid derivativesheteroaromatic compoundshydrocarbon derivativesimidazolesimidazolethionesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespyran carboxylic acidssecondary alcoholsthioureas |
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| Substituents | carbonyl groupthioureacarboxylic acidaromatic heteromonocyclic compoundo-glucuronidemonosaccharideimidazole-2-thioneorganosulfur compoundcarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetalimidazoleorganonitrogen compoundorganopnictogen compoundoxaneorganoheterocyclic compoundazolealcoholpyran carboxylic acid or derivativesazacycleheteroaromatic compoundhydroxy acidoxacyclepyrancarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compound |
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