| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:46 UTC |
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| Update Date | 2025-03-25 00:53:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02202969 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H19NO11 |
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| Molecular Mass | 413.0958 |
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| SMILES | O=C1NC(Cc2ccc(O)c(OC3OC(C(=O)O)C(O)C(O)C3O)c2)C(O)=C1O |
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| InChI Key | LNLCFMXVPYYDAD-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 heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsacetalsazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsglucuronic acid derivativeshydrocarbon derivativeslactamsmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesphenol ethersphenoxy compoundspyran carboxylic acidspyrrolinessecondary alcoholssecondary carboxylic acid amidesvinylogous acids |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundo-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetalorganonitrogen compoundorganopnictogen compoundoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativesazacyclehydroxy acidcarboxamide groupoxacyclesecondary carboxylic acid amidevinylogous acidmonocarboxylic acid or derivativespyrrolinepyransecondary alcoholphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compound |
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