| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:54:55 UTC |
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| Update Date | 2025-03-21 18:04:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00050326 |
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| Frequency | 65.3 |
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| Structure | |
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| Chemical Formula | C21H23NO14 |
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| Molecular Mass | 513.1119 |
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| SMILES | O=C(O)C1OC(Oc2ccc3ccc(OC4OC(C(=O)O)C(O)C(O)C4O)nc3c2)C(O)C(O)C1O |
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| InChI Key | BYIUMQRAUVYEJE-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-halopyridinesacetalsazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesglucuronic acid derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesphenol etherspolyhalopyridinespyran carboxylic acidsquinolones and derivativessecondary alcohols |
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| Substituents | phenol ethercarbonyl groupcarboxylic acidpolyhalopyridineo-glucuronidemonosaccharidecarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetalaromatic heteropolycyclic compoundorganonitrogen compoundquinolineorganopnictogen compound2-halopyridineoxaneorganoheterocyclic compoundalcoholquinolonepyran carboxylic acid or derivativesazacycleheteroaromatic compoundhydroxypyridinehydroxy acidoxacyclepyridinepyransecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compound |
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