Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 00:17:30 UTC |
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Update Date | 2025-03-21 18:35:10 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00104234 |
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Frequency | 35.8 |
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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(Oc2cc3ccc(=O)[nH]c3cc2O)C(O)C(O)C1O |
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InChI Key | HFDMILYALSDIPP-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 compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsglucuronic acid derivativesheteroaromatic compoundshydrocarbon derivativeshydroquinolineshydroquinoloneshydroxypyridineslactamsmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesphenol etherspolyhalopyridinespyran carboxylic acidspyridinonessecondary alcohols |
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Substituents | phenol ethercarbonyl grouplactamcarboxylic acidpolyhalopyridineo-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetalaromatic heteropolycyclic compoundorganonitrogen compoundquinolineorganopnictogen compound2-halopyridineoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativesazacycleheteroaromatic compoundhydroxypyridinedihydroquinolinehydroxy acidoxacyclemonocarboxylic acid or derivativesdihydroquinolonepyridinepyransecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundpyridinone |
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