| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:17:32 UTC |
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| Update Date | 2025-03-25 01:00:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02241349 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H21NO13 |
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| Molecular Mass | 411.1013 |
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| SMILES | CC(=O)NC1OC(COC2(C(=O)O)OC(C(=O)O)C(O)C(O)C2O)C(O)C1O |
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| InChI Key | KTRVMWGZHJUALR-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 derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesglucuronic acid derivativeshydrocarbon derivativesketalsmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespyran 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 compoundoxaneorganoheterocyclic compoundacetamidealcoholpyran carboxylic acid or derivativestetrahydrofuranhydroxy acidcarboxamide groupoxacyclesecondary carboxylic acid amidepyransecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compound |
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