| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:12:41 UTC |
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| Update Date | 2025-03-25 00:58:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02230281 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H18N4O8 |
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| Molecular Mass | 370.1125 |
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| SMILES | CN(C)c1nc(=O)c2[nH]cc(OC3OC(C(=O)O)C(O)C(O)C3O)c2[nH]1 |
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| InChI Key | HFYKNWZJLCAONC-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 | acetalsaminopyrimidines and derivativesazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdialkylarylaminesglucuronic acid derivativesheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespyran carboxylic acidspyrimidonespyrrolespyrrolopyrimidinessecondary alcoholsvinylogous amides |
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| Substituents | carbonyl groupcarboxylic acido-glucuronidemonosaccharidepyrimidonecarboxylic acid derivativepyran carboxylic acidpyrimidine1-o-glucuronidepyrrolopyrimidinebeta-hydroxy acidorganic oxideacetalaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundoxanedialkylarylamineorganoheterocyclic compoundalcoholvinylogous amidepyran carboxylic acid or derivativesazacycleheteroaromatic compoundhydroxy acidaminopyrimidineoxacyclemonocarboxylic acid or derivativespyranpyrrolesecondary alcoholhydrocarbon derivativeorganic nitrogen compound |
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