| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:35:40 UTC |
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| Update Date | 2025-03-21 17:57:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00005390 |
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| Frequency | 993.7 |
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| Structure | |
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| Chemical Formula | C15H15NO8 |
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| Molecular Mass | 337.0798 |
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| SMILES | O=C(O)C1OC(Oc2ccc3cc(O)ccc3n2)C(O)C(O)C1O |
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| InChI Key | ZTURVXQCQDLYKX-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 derivativeshydroxypyridineshydroxyquinolinesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespolyhalopyridinespyran carboxylic acidsquinolones and derivativessecondary alcohols |
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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 compoundalcoholquinolonepyran carboxylic acid or derivativesazacycleheteroaromatic compoundhydroxypyridinehydroxy acidhydroxyquinolineoxacyclemonocarboxylic acid or derivativespyridinepyransecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compound |
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