| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:52 UTC |
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| Update Date | 2025-03-25 00:57:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02224174 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H15N3O7 |
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| Molecular Mass | 337.091 |
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| SMILES | Nc1ncnc2cc(OC3OC(C(=O)O)C(O)C(O)C3O)ccc12 |
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| InChI Key | CBEWZOZCBHFPEK-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 acidsdiazanaphthalenesglucuronic acid derivativesheteroaromatic compoundshydrocarbon derivativesimidolactamsmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxanesphenol ethersprimary aminespyran carboxylic acidspyrimidines and pyrimidine derivativesquinazolinaminessecondary alcohols |
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| Substituents | phenol ethercarbonyl groupcarboxylic acidamino acid or derivativesamino acido-glucuronidemonosaccharidecarboxylic acid derivativepyran carboxylic acidpyrimidine1-o-glucuronidebeta-hydroxy acidorganic oxideacetaldiazanaphthalenearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundoxaneimidolactamorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativesazacycleheteroaromatic compoundhydroxy acidoxacyclemonocarboxylic acid or derivativespyransecondary alcoholquinazolinaminehydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundquinazolineamine |
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