| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:49:18 UTC |
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| Update Date | 2025-03-21 18:02:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00036885 |
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| Frequency | 95.6 |
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| Structure | |
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| Chemical Formula | C14H17NO9 |
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| Molecular Mass | 343.0903 |
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| SMILES | Cc1ncc(COC2OC(C(=O)O)C(O)C(O)C2O)c(C=O)c1O |
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| InChI Key | AWWRAZZGQSGABL-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 heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesacetalsaryl-aldehydesazacyclic compoundsbeta hydroxy acids and derivativescarboxylic acidsglucuronic acid derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespolyhalopyridinespyran carboxylic acidspyridinecarboxylic acids and derivativespyridoxals and derivativessecondary alcoholsvinylogous acids |
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| Substituents | pyridine carboxylic acid or derivativescarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundpolyhalopyridineo-glucuronidemonosaccharidecarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxidearyl-aldehydeacetalorganonitrogen compoundorganopnictogen compound2-halopyridineoxaneorganoheterocyclic compoundalcoholpyridoxalpyran carboxylic acid or derivativesazacycleheteroaromatic compoundhydroxypyridinealdehydehydroxy acid4-pyridine carboxaldehydeoxacyclevinylogous acidmonocarboxylic acid or derivativespyridinepyransecondary alcoholhydrocarbon derivativeorganic nitrogen compound |
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