| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:03:47 UTC |
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| Update Date | 2025-03-21 18:28:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00071184 |
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| Frequency | 48.2 |
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| Structure | |
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| Chemical Formula | C12H13N5O8 |
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| Molecular Mass | 355.0764 |
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| SMILES | Nc1nc2ncc(OC3OC(C(=O)O)C(O)C(O)C3O)nc2c(=O)[nH]1 |
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| InChI Key | ZFGNUBJMHTXZOI-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 | acetalsamino acidsazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsglucuronic acid derivativesheteroaromatic compoundshydrocarbon derivativeslactamsmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxanesprimary aminespterins and derivativespyran carboxylic acidspyrazinespyrimidonessecondary alcohols |
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| Substituents | carbonyl grouplactamcarboxylic acidamino acid or derivativesamino acido-glucuronidemonosaccharidepyrimidonepteridinecarboxylic acid derivativepyran carboxylic acidpyrimidine1-o-glucuronidebeta-hydroxy acidorganic oxideacetalaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundoxaneorganoheterocyclic compoundalcoholpterinpyran carboxylic acid or derivativesazacycleheteroaromatic compoundhydroxy acidoxacyclemonocarboxylic acid or derivativespyranpyrazinesecondary alcoholhydrocarbon derivativeprimary amineorganic nitrogen compoundamine |
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