| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:50 UTC |
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| Update Date | 2025-03-25 00:53:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02203139 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C29H32O17 |
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| Molecular Mass | 652.164 |
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| SMILES | O=C1CC(c2ccc(O)c(OC3OC(C(=O)O)C(O)C(O)C3O)c2)C(Cc2cccc(OC3OC(C(=O)O)C(O)C(O)C3O)c2)O1 |
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| InChI Key | LUYSYKMNDLETDT-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 benzenoidsacetalsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsgamma butyrolactonesglucuronic acid derivativeshydrocarbon derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenol ethersphenoxy compoundspyran carboxylic acidssecondary alcoholstetrahydrofuranstricarboxylic 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 acidlactone1-o-glucuronidebeta-hydroxy acidorganic oxideacetaloxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativestetrahydrofuranhydroxy acidgamma butyrolactoneoxacyclepyrancarboxylic acid estersecondary alcoholphenolhydrocarbon derivativebenzenoidphenoxy compound |
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