| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:24:56 UTC |
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| Update Date | 2025-03-21 18:38:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00122227 |
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| Frequency | 36.1 |
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| Structure | |
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| Chemical Formula | C11H13N5O8 |
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| Molecular Mass | 343.0764 |
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| SMILES | Nc1nc2nc(OC3OC(C(=O)O)C(O)C(O)C3O)[nH]c2c(=O)[nH]1 |
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| InChI Key | TUXNOOGLFZJYLS-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 derivativeshypoxanthinesimidazoleslactamsmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxanesprimary aminespurines and purine derivativespyran carboxylic acidspyrimidonessecondary alcohols |
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| Substituents | carbonyl grouplactamcarboxylic acidamino acid or derivativesamino acido-glucuronidemonosaccharidepyrimidoneimidazopyrimidinecarboxylic acid derivativepyran carboxylic acidpyrimidine1-o-glucuronidebeta-hydroxy acidorganic oxideacetalaromatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundoxaneorganoheterocyclic compoundazolealcoholpyran carboxylic acid or derivativesazacycleheteroaromatic compoundhydroxy acidoxacyclemonocarboxylic acid or derivativespyransecondary alcoholhypoxanthinehydrocarbon derivativeprimary aminepurineorganic nitrogen compoundamine |
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