| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:14:11 UTC |
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| Update Date | 2025-03-21 18:33:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00096048 |
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| Frequency | 28.8 |
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| Structure | |
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| Chemical Formula | C15H15NO9 |
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| Molecular Mass | 353.0747 |
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| SMILES | O=C(O)C1OC(Oc2c[nH]c3cc(O)ccc3c2=O)C(O)C(O)C1O |
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| InChI Key | AITCXEFQRJACAJ-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 benzenoids2-halopyridinesacetalsazacyclic compoundsbenzenoidsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsglucuronic acid derivativesheteroaromatic compoundshydrocarbon derivativeshydroquinolineshydroquinoloneshydroxypyridinesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespolyhalopyridinespyran carboxylic acidssecondary alcoholsvinylogous amides |
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| Substituents | carbonyl groupcarboxylic acidpolyhalopyridineo-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetalaromatic heteropolycyclic compoundorganonitrogen compoundquinolineorganopnictogen compound2-halopyridineoxaneorganoheterocyclic compoundalcoholvinylogous amidepyran carboxylic acid or derivativesazacycleheteroaromatic compoundhydroxypyridinedihydroquinolinehydroxy acidoxacyclemonocarboxylic acid or derivativesdihydroquinolonepyridinepyransecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compound |
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