| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:19 UTC |
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| Update Date | 2025-03-25 00:47:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02160883 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H14N4O8 |
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| Molecular Mass | 342.0812 |
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| SMILES | Nc1nc2cc(OC3OC(C(=O)O)C(O)C(O)C3O)[nH]c2c(=O)[nH]1 |
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| InChI Key | DCILDURIOVFCBN-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 aminespyran carboxylic acidspyrimidonespyrrolespyrrolopyrimidinessecondary alcohols |
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| Substituents | carbonyl grouplactamcarboxylic acidamino acid or derivativesamino acido-glucuronidemonosaccharidepyrimidonecarboxylic acid derivativepyran carboxylic acidpyrimidine1-o-glucuronidepyrrolopyrimidinebeta-hydroxy acidorganic oxideacetalaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativesazacycleheteroaromatic compoundhydroxy acidoxacyclemonocarboxylic acid or derivativespyranpyrrolesecondary alcoholhydrocarbon derivativeprimary amineorganic nitrogen compoundamine |
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