| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:52:33 UTC |
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| Update Date | 2025-03-21 18:03:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00044681 |
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| Frequency | 75.7 |
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| Structure | |
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| Chemical Formula | C12H14N2O10 |
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| Molecular Mass | 346.0648 |
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| SMILES | O=C(Cc1c[nH]c(=O)[nH]c1=O)OC1OC(C(=O)O)C(O)C(O)C1O |
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| InChI Key | MDEMNRDMMJOMSA-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 derivativeslactamsmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespyran carboxylic acidspyrimidonessecondary alcoholsvinylogous amides |
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| Substituents | carbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundo-glucuronidemonosaccharidepyrimidonecarboxylic acid derivativepyran carboxylic acidpyrimidine1-o-glucuronidebeta-hydroxy acidorganic oxideacetalorganonitrogen compoundorganopnictogen compoundoxaneorganoheterocyclic compoundalcoholvinylogous amidecarbonic acid derivativepyran carboxylic acid or derivativesazacycleheteroaromatic compoundhydroxy acidoxacyclepyrancarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compound |
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