Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 14:53:13 UTC |
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Update Date | 2025-03-25 00:51:16 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID02185812 |
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Frequency | 0.5 |
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Structure | |
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Chemical Formula | C15H18N4O10 |
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Molecular Mass | 414.1023 |
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SMILES | Nc1nc2c(CC(=O)OCOC3OC(C(=O)O)C(O)C(O)C3O)c[nH]c2c(=O)[nH]1 |
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InChI Key | UJCCUQCCDNXRIW-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 acid esterscarboxylic acidsdicarboxylic acids and derivativesglucuronic acid derivativesheteroaromatic compoundshydrocarbon derivativeslactamsmonosaccharidesorganic 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 acidoxacyclepyranpyrrolecarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeprimary amineorganic nitrogen compoundamine |
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