| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:07 UTC |
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| Update Date | 2025-03-25 00:56:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02217782 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H15N3O6 |
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| Molecular Mass | 309.0961 |
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| SMILES | O=C(O)C1OC(Nc2nc3ccccc3[nH]2)C(O)C(O)C1O |
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| InChI Key | CMBJNTQWLBHPRA-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 | n-glucuronides |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | amino acidsazacyclic compoundsbenzenoidsbenzimidazolesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsglucuronic acid derivativesheteroaromatic compoundshydrocarbon derivativesimidazolesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxanespyran carboxylic acidssecondary alcoholssecondary alkylarylamines |
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| Substituents | carbonyl groupcarboxylic acidamino acid or derivativesamino acidmonosaccharidecarboxylic acid derivativepyran carboxylic acidn-glucuronidebeta-hydroxy acidorganic oxidearomatic heteropolycyclic compoundbenzimidazoleimidazoleorganonitrogen compoundorganopnictogen compoundoxaneorganoheterocyclic compoundazolealcoholpyran carboxylic acid or derivativesazacycleheteroaromatic compoundhydroxy acidsecondary aminesecondary aliphatic/aromatic amineoxacyclemonocarboxylic acid or derivativespyransecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundamine |
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