| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:14:32 UTC |
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| Update Date | 2025-03-25 00:37:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02096553 |
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| Frequency | 0.6 |
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| Structure | |
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| Chemical Formula | C39H42O27 |
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| Molecular Mass | 942.1913 |
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| SMILES | COc1ccc(C2COc3c(O)cc(OC4OC(C(=O)O)C(O)C(O)C4O)cc3Oc3cc(OC4OC(C(=O)O)C(O)C(O)C4O)cc(O)c3O2)cc1OC1OC(C(=O)O)C(O)C(O)C1O |
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| InChI Key | ILCZZCOEKUJUTF-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 derivativescarbonyl compoundscarboxylic acidsdiarylethersglucuronic acid derivativeshydrocarbon derivativesmethoxybenzenesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundspyran carboxylic acidssecondary alcoholstricarboxylic acids and derivatives |
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| Substituents | diaryl etherphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acido-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidetricarboxylic acid or derivativesalkyl aryl ethercarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetalaromatic heteropolycyclic compoundoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativeshydroxy acid1-hydroxy-4-unsubstituted benzenoidmethoxybenzeneoxacyclepyrananisolesecondary alcoholhydrocarbon derivativebenzenoidphenoxy compound |
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