| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:55:38 UTC |
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| Update Date | 2025-03-21 18:04:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00051952 |
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| Frequency | 62.7 |
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| Structure | |
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| Chemical Formula | C13H22N2O9 |
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| Molecular Mass | 350.1325 |
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| SMILES | CC(=O)NC1C(O)CC(NC(C)=O)(C(=O)O)OC1C(O)C(O)CO |
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| InChI Key | JNHCGFZTCFYSMJ-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 | c-glucuronides |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | acetamidesalpha amino acidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesprimary alcoholspyran carboxylic acidssecondary alcoholssecondary carboxylic acid amides |
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| Substituents | carbonyl groupcarboxylic acidalpha-amino acid or derivativescarboxylic acid derivativepyran carboxylic acidorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundoxaneprimary alcoholorganoheterocyclic compoundacetamiden-acyl-alpha amino acid or derivativesc-glucuronidealcoholpyran carboxylic acid or derivativesn-acyl-alpha-amino acidcarboxamide groupoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativespyransecondary alcoholhydrocarbon derivativeorganic nitrogen compound |
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