| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:03:53 UTC |
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| Update Date | 2025-03-25 00:55:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02210245 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C26H42N2O22 |
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| Molecular Mass | 734.2229 |
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| SMILES | CC(=O)NC1C(O)CC(OC2C(O)C(CO)OC(OC3C(O)C(OC(CN)C(=O)O)OC(C(=O)O)C3O)C2O)(C(=O)O)OC1C(O)C(O)CO |
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| InChI Key | UKBNBPVIBYKJFT-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 amino acids and derivativesbeta hydroxy acids and derivativesc-glucuronidescarbonyl compoundscarboxylic acidsglucuronic acid derivativeshydrocarbon derivativesketalsmonoalkylaminesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesprimary alcoholspyran carboxylic acidssecondary alcoholssecondary carboxylic acid amidestricarboxylic acids and derivatives |
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| Substituents | carbonyl groupcarboxylic acido-glucuronidemonosaccharidetricarboxylic acid or derivativescarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetalketalaliphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundoxaneprimary alcoholorganoheterocyclic compoundacetamidec-glucuronidealcoholpyran carboxylic acid or derivativeshydroxy acidcarboxamide groupbeta amino acid or derivativesoxacyclesecondary carboxylic acid amidepyransecondary alcoholhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compound |
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