| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:17 UTC |
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| Update Date | 2025-03-25 00:50:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02183703 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C20H22O18 |
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| Molecular Mass | 550.0806 |
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| SMILES | O=C1Oc2c(cc(OC3OC(C(=O)O)C(O)C(O)C3O)cc2OC2OC(C(=O)O)C(O)C(O)C2O)OC1O |
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| InChI Key | LCPFRTGDFQWFJS-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 | acetalsbenzo-1,4-dioxanesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsglucuronic acid derivativeshemiacetalshydrocarbon derivativeslactonesmonosaccharidesorganic oxidesoxacyclic compoundsoxanespara dioxinsphenol etherspyran carboxylic acidssecondary alcoholstricarboxylic acids and derivatives |
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| Substituents | phenol ethercarbonyl groupcarboxylic acido-glucuronidemonosaccharidetricarboxylic acid or derivativescarboxylic acid derivativepyran carboxylic acidlactone1-o-glucuronidebenzodioxanebeta-hydroxy acidorganic oxideacetalaromatic heteropolycyclic compoundhemiacetaloxaneorganoheterocyclic compoundalcoholbenzo-1,4-dioxanepyran carboxylic acid or derivativeshydroxy acidoxacyclepara-dioxinpyrancarboxylic acid estersecondary alcoholhydrocarbon derivativebenzenoid |
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