| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:39 UTC |
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| Update Date | 2025-03-25 00:56:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02221386 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C25H32O21 |
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| Molecular Mass | 668.1436 |
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| SMILES | O=C(O)C1OC(OCC2OC(Oc3cc(O)cc(OC4OC(C(=O)O)C(O)C(O)C4O)c3)C(O)C(O)C2O)(C(=O)O)CC(O)C1O |
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| InChI Key | WKSQMHTVRMDXLD-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 benzenoidsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsglucuronic acid derivativeshydrocarbon derivativesketalsmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenol ethersphenoxy compoundspyran carboxylic acidssecondary alcoholstricarboxylic acids and derivatives |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundo-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidetricarboxylic acid or derivativescarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetalketaloxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativeshydroxy acid1-hydroxy-4-unsubstituted benzenoidoxacyclepyransecondary alcoholphenolhydrocarbon derivativebenzenoidphenoxy compound |
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