| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:51:07 UTC |
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| Update Date | 2025-03-21 18:02:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00041182 |
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| Frequency | 90.5 |
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| Structure | |
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| Chemical Formula | C14H16N4O9 |
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| Molecular Mass | 384.0917 |
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| SMILES | N=c1[nH]c(=O)c2c(CC(=O)OC3OC(C(=O)O)C(O)C(O)C3O)c[nH]c2[nH]1 |
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| InChI Key | ASLHHCUVCIGQES-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 heteropolycyclic compounds |
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| Alternative Parents | acetalsazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesglucuronic acid derivativesheteroaromatic compoundshydrocarbon derivativeslactamsmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespyran carboxylic acidspyrimidonespyrrolespyrrolo[2,3-d]pyrimidinessecondary alcoholsvinylogous amides |
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| Substituents | carbonyl grouplactamcarboxylic acido-glucuronidemonosaccharidepyrimidonecarboxylic acid derivativepyran carboxylic acidpyrimidine1-o-glucuronidepyrrolopyrimidinebeta-hydroxy acidorganic oxidepyrrolo[2,3-d]pyrimidineacetalaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundoxaneorganoheterocyclic compoundalcoholvinylogous amidepyran carboxylic acid or derivativesazacycleheteroaromatic compoundhydroxy acidoxacyclepyranpyrrolecarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compound |
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