| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:44 UTC |
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| Update Date | 2025-03-25 00:45:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02150539 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H12N2O7S |
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| Molecular Mass | 292.0365 |
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| SMILES | O=C(O)C1OC(Oc2c[nH]c(=S)[nH]2)C(O)C(O)C1O |
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| InChI Key | NMNUPAREBIWDSU-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 acidsglucuronic acid derivativesheteroaromatic compoundshydrocarbon derivativesimidazolesimidazolethionesmonocarboxylic acids and derivativesmonosaccharidesorganic 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 acidoxacyclemonocarboxylic acid or derivativespyransecondary alcoholhydrocarbon derivativeorganic nitrogen compound |
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