| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:01:56 UTC |
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| Update Date | 2025-03-21 18:07:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00066761 |
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| Frequency | 45.7 |
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| Structure | |
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| Chemical Formula | C16H15NO11 |
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| Molecular Mass | 397.0645 |
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| SMILES | O=C(O)c1cc(=O)c2c(O)cc(OC3OC(C(=O)O)C(O)C(O)C3O)cc2[nH]1 |
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| InChI Key | YTBUSDYSAMZBNG-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 | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids2-halopyridinesacetalsazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesglucuronic acid derivativesheteroaromatic compoundshydrocarbon derivativeshydroquinolineshydroquinoloneshydroxypyridinesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesphenol etherspolyhalopyridinespyran carboxylic acidspyridine-2-carboxylic acidsquinoline carboxylic acidssecondary alcoholsvinylogous acidsvinylogous amides |
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| Substituents | pyridine carboxylic acid or derivativesphenol ethercarbonyl groupcarboxylic acidpolyhalopyridineo-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxidepyridine-2-carboxylic acidacetalaromatic heteropolycyclic compoundquinolineorganonitrogen compoundorganopnictogen compound2-halopyridineoxaneorganoheterocyclic compoundalcoholvinylogous amidepyran carboxylic acid or derivativesazacycleheteroaromatic compoundhydroxypyridinedihydroquinolinehydroxy acid1-hydroxy-4-unsubstituted benzenoidoxacyclevinylogous aciddihydroquinolonepyridinepyranpyridine carboxylic acidsecondary alcoholdicarboxylic acid or derivativesquinoline-2-carboxylic acidhydrocarbon derivativebenzenoidorganic nitrogen compound |
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