| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:22 UTC |
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| Update Date | 2025-03-25 00:50:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02183853 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C20H22O10 |
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| Molecular Mass | 422.1213 |
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| SMILES | O=C1CC2OC(=O)C(Cc3cccc(OC4OC(C(=O)O)C(O)C(O)C4O)c3)C2C1 |
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| InChI Key | JYEGLAZFPIAXGE-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 heteropolycyclic compounds |
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| Alternative Parents | acetalsbeta hydroxy acids and derivativescarboxylic acid esterscarboxylic acidscyclic ketonesdicarboxylic acids and derivativesgamma butyrolactonesglucuronic acid derivativeshydrocarbon derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenol ethersphenoxy compoundspyran carboxylic acidssecondary alcoholstetrahydrofurans |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acido-glucuronidemonosaccharidecyclic ketonecarboxylic acid derivativepyran carboxylic acidketonelactone1-o-glucuronidebeta-hydroxy acidorganic oxideacetalaromatic heteropolycyclic compoundoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativestetrahydrofuranhydroxy acidgamma butyrolactoneoxacyclepyrancarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidphenoxy compound |
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