| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:05 UTC |
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| Update Date | 2025-03-25 00:56:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02217701 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C28H32O17 |
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| Molecular Mass | 640.164 |
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| SMILES | COc1ccc(C2CC(=O)C3=C4OC(O4)C(O)C(O)C(O)C(CO)C=C(OC4OC(C(=O)O)C(O)C(O)C4O)C=C3O2)cc1O |
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| InChI Key | TYORJNVGIWRBSH-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 | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalsalkyl aryl ethersanisolesbeta hydroxy acids and derivativescarboxylic acidsdioxetanesglucuronic acid derivativeshydrocarbon derivativesketonesmethoxybenzenesmethoxyphenolsmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundsprimary alcoholspyran carboxylic acidssecondary alcoholsvinylogous esters |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acido-glucuronide1-hydroxy-2-unsubstituted benzenoidmethoxyphenolmonosaccharidealkyl aryl ethercarboxylic acid derivativepyran carboxylic acid1,3-dioxetaneketone1-o-glucuronidebeta-hydroxy acidorganic oxideacetalaromatic heteropolycyclic compoundoxaneprimary alcoholorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativesvinylogous esterhydroxy acid1-hydroxy-4-unsubstituted benzenoidmethoxybenzeneoxacyclemonocarboxylic acid or derivativespyrananisolesecondary alcoholphenolhydrocarbon derivativebenzenoidphenoxy compound |
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