| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 03:59:38 UTC |
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| Update Date | 2025-03-21 23:02:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00626430 |
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| Frequency | 2.6 |
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| Structure | |
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| Chemical Formula | C36H44O26 |
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| Molecular Mass | 892.2121 |
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| SMILES | O=C(O)C1OC(Oc2cc(OC3OC(C(=O)O)C(O)C(O)C3O)cc(C3OC(C(O)CO)c4cc(OC5OC(C(=O)O)C(O)C(O)C5O)cc(O)c4CC3O)c2)C(O)C(O)C1O |
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| InChI Key | REQSSXFMKBWVMM-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 benzenoidsacetalsbenzoxepinesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdialkyl ethersglucuronic acid derivativeshydrocarbon derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenol ethersphenoxy compoundsprimary alcoholspyran carboxylic acidssecondary alcoholstricarboxylic acids and derivatives |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidbenzoxepineo-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidetricarboxylic acid or derivativescarboxylic acid derivativepyran carboxylic aciddialkyl ether1-o-glucuronidebeta-hydroxy acidorganic oxideacetalaromatic heteropolycyclic compoundoxaneprimary alcoholorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativeshydroxy acid1-hydroxy-4-unsubstituted benzenoidoxacyclepyransecondary alcoholhydrocarbon derivativebenzenoidphenoxy compound |
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