| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:47:17 UTC |
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| Update Date | 2025-03-25 00:49:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02172234 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C25H40N2O19 |
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| Molecular Mass | 672.2225 |
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| SMILES | CC(=O)NC1C(=O)OC(CO)C(O)C1OC1OC(CO)C(O)C(OC2(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O2)C1O |
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| InChI Key | STJDEQARYFKMDK-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 acid estersalpha amino acidsaminosaccharidescarbonyl compoundscarboxylic acid esterscarboxylic acidsdelta valerolactonesdicarboxylic acids and derivativeshydrocarbon derivativesketalsmonosaccharidesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesprimary alcoholspyran carboxylic acidssecondary alcoholssecondary carboxylic acid amides |
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| Substituents | carbonyl groupcarboxylic aciddelta valerolactonemonosaccharidealpha-amino acid or derivativescarboxylic acid derivativepyran carboxylic acidlactoneorganic oxideacetalketalaliphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundoxaneprimary alcoholdelta_valerolactoneorganoheterocyclic compoundacetamiden-acyl-alpha amino acid or derivativesc-glucuronidealcoholamino saccharidepyran carboxylic acid or derivativesalpha-amino acid estern-acyl-alpha-amino acidcarboxamide groupoxacyclesecondary carboxylic acid amidepyrancarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compound |
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