| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:51:53 UTC |
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| Update Date | 2025-03-21 18:03:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00043040 |
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| Frequency | 79.2 |
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| Structure | |
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| Chemical Formula | C16H17NO8 |
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| Molecular Mass | 351.0954 |
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| SMILES | COc1ccc2ccc(OC3OC(C(=O)O)C(O)C(O)C3O)nc2c1 |
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| InChI Key | KINRCSJYAWDASK-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 | 2-halopyridinesacetalsalkyl aryl ethersanisolesazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsglucuronic acid derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespolyhalopyridinespyran carboxylic acidsquinolones and derivativessecondary alcohols |
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| Substituents | phenol ethercarbonyl groupethercarboxylic acidpolyhalopyridineo-glucuronidemonosaccharidealkyl aryl ethercarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetalaromatic heteropolycyclic compoundorganonitrogen compoundquinolineorganopnictogen compound2-halopyridineoxaneorganoheterocyclic compoundalcoholquinolonepyran carboxylic acid or derivativesazacycleheteroaromatic compoundhydroxypyridinemethylpyridinehydroxy acidoxacyclemonocarboxylic acid or derivativespyridinepyrananisolesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compound |
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