| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:29 UTC |
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| Update Date | 2025-03-25 00:56:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02221007 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H15NO9 |
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| Molecular Mass | 365.0747 |
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| SMILES | O=C(O)c1cncc2ccc(OC3OC(C(=O)O)C(O)C(O)C3O)cc12 |
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| InChI Key | LOQRAQMLDDMCIY-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-carboxy-2-haloaromatic compoundsacetalsazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundsdicarboxylic acids and derivativesglucuronic acid derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesisoquinolines and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesphenol etherspolyhalopyridinespyran carboxylic acidspyridine-3-carboxylic acidssecondary alcohols |
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| Substituents | pyridine carboxylic acid or derivativesphenol ethercarbonyl groupcarboxylic acidpyridine-3-carboxylic acidpolyhalopyridineo-glucuronidemonosaccharidecarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetalaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compoundoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativesazacycleheteroaromatic compoundhydroxypyridinehydroxy acidoxacyclepyridinepyranpyridine carboxylic acidisoquinolinesecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compound |
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