| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:31 UTC |
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| Update Date | 2025-03-25 00:56:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02218731 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H14N4O9 |
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| Molecular Mass | 370.0761 |
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| SMILES | Cn1c(=O)[nH]c2ncc(OC3OC(C(=O)O)C(O)C(O)C3O)nc2c1=O |
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| InChI Key | FOJMDHWIOLUPOL-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 acidsglucuronic acid derivativesheteroaromatic compoundshydrocarbon derivativeslactamsmonocarboxylic acids and derivativesmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespteridines and derivativespyran carboxylic acidspyrazinespyrimidonessecondary alcoholsvinylogous amides |
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| Substituents | carbonyl grouplactamcarboxylic acido-glucuronidemonosaccharidepyrimidonepteridinecarboxylic acid derivativepyran carboxylic acidpyrimidine1-o-glucuronidebeta-hydroxy acidorganic oxideacetalaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundoxaneorganoheterocyclic compoundalcoholvinylogous amidecarbonic acid derivativepyran carboxylic acid or derivativesazacycleheteroaromatic compoundhydroxy acidoxacyclemonocarboxylic acid or derivativespyranpyrazinesecondary alcoholhydrocarbon derivativeorganic nitrogen compound |
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