Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 00:18:12 UTC |
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Update Date | 2025-03-21 18:35:30 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00105920 |
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Frequency | 25.5 |
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Structure | |
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Chemical Formula | C23H37NO20 |
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Molecular Mass | 647.1909 |
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SMILES | CC(=O)NC1C(O)CC(OCC2(OC3OC(C(=O)O)C(O)C(O)C3O)OC(CO)C(O)C2O)(C(=O)O)OC1C(O)C(O)CO |
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InChI Key | KPKVKAJUNUWTNB-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 | aliphatic heteromonocyclic compounds |
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Alternative Parents | acetamidesbeta hydroxy acids and derivativesc-glucuronidescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesglucuronic acid derivativeshydrocarbon derivativesketalsmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesprimary alcoholspyran carboxylic acidssecondary alcoholssecondary carboxylic acid amidestetrahydrofurans |
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Substituents | carbonyl groupcarboxylic acido-glucuronidemonosaccharidecarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetalketalaliphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundoxaneprimary alcoholorganoheterocyclic compoundacetamidec-glucuronidealcoholpyran carboxylic acid or derivativestetrahydrofuranhydroxy acidcarboxamide groupoxacyclesecondary carboxylic acid amidepyransecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compound |
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