| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:55:57 UTC |
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| Update Date | 2025-03-25 00:52:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02192012 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C28H39NO19 |
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| Molecular Mass | 693.2116 |
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| SMILES | CC(=O)NC1C(O)CC(OC2C(O)C(OC(=O)CCC(O)Cc3ccc(O)c(O)c3)OC(C(=O)O)C2O)(C(=O)O)OC1C(O)C(O)CO |
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| InChI Key | ULLCXJBZRDQDJS-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 | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetamidesbenzene and substituted derivativesbeta hydroxy acids and derivativesc-glucuronidescarbonyl compoundscarboxylic acid esterscarboxylic acidsfatty acid estersglucuronic acid derivativeshydrocarbon derivativesketalsmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesprimary alcoholspyran carboxylic acidssecondary alcoholssecondary carboxylic acid amidestricarboxylic acids and derivatives |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundo-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidetricarboxylic acid or derivativescarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetalketalorganonitrogen compoundorganopnictogen compoundoxaneprimary alcoholorganoheterocyclic compoundacetamidec-glucuronidealcoholpyran carboxylic acid or derivativeshydroxy acid1-hydroxy-4-unsubstituted benzenoidcarboxamide groupoxacyclesecondary carboxylic acid amidefatty acid esterpyrancarboxylic acid estersecondary alcoholphenolhydrocarbon derivativebenzenoidorganic nitrogen compound |
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