| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:53 UTC |
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| Update Date | 2025-03-25 00:47:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02162149 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H18O14 |
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| Molecular Mass | 446.0697 |
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| SMILES | O=C(O)C1OC(Cc2cc(O)c(O)c(OC3OC(C(=O)O)C(O)C(O)C3O)c2)OC1=O |
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| InChI Key | DNCVZIAGRKVKAB-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 | 1,3-dicarbonyl compounds1,3-dioxolanes1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalsbeta hydroxy acids and derivativescarboxylic acid esterscarboxylic acidsglucuronic acid derivativeshydrocarbon derivativeslactonesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenol ethersphenoxy compoundspyran carboxylic acidssecondary alcoholstricarboxylic acids and derivatives |
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| Substituents | phenol ethermonocyclic benzene moietymeta-dioxolanecarbonyl 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 derivativeshydroxy acid1-hydroxy-4-unsubstituted benzenoidoxacyclepyrancarboxylic acid estersecondary alcoholphenolhydrocarbon derivativebenzenoid1,3-dicarbonyl compoundphenoxy compound |
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