| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:31 UTC |
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| Update Date | 2025-03-25 00:49:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02177434 |
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| Frequency | 0.5 |
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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 | Cc1ccc(OC2OC(C(=O)O)C(O)C(O)C2O)c2[nH]c(=O)ccc12 |
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| InChI Key | BNEWIFPXGYLUAN-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 acidsglucuronic acid derivativesheteroaromatic compoundshydrocarbon derivativeshydroquinolineshydroquinoloneshydroxypyridineslactamsmethylpyridinesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesphenol etherspolyhalopyridinespyran carboxylic acidspyridinonessecondary alcohols |
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| Substituents | phenol ethercarbonyl grouplactamcarboxylic acidpolyhalopyridineo-glucuronidemonosaccharidecarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetalaromatic heteropolycyclic compoundorganonitrogen compoundquinolineorganopnictogen compound2-halopyridineoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativesazacycleheteroaromatic compoundhydroxypyridinedihydroquinolinemethylpyridinehydroxy acidoxacyclemonocarboxylic acid or derivativesdihydroquinolonepyridinepyransecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundpyridinone |
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