| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:20:52 UTC |
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| Update Date | 2025-03-25 01:01:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02249067 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C31H32O20 |
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| Molecular Mass | 724.1487 |
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| SMILES | COc1ccc(C2Oc3c(c4c(OC5OC(C(=O)O)C(O)C(O)C5O)cc(OC5OC(C(=O)O)C(O)C(O)C5O)cc4oc3=O)CC2O)cc1O |
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| InChI Key | RYVMZLUNXJNKOS-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-benzopyrans1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalsalkyl aryl ethersanisolesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidscoumarins and derivativesdicarboxylic acids and derivativesglucuronic acid derivativesheteroaromatic compoundshydrocarbon derivativeslactonesmethoxybenzenesmethoxyphenolsmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundspyran carboxylic acidspyranones and derivativessecondary alcohols |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acid1-benzopyrano-glucuronide1-hydroxy-2-unsubstituted benzenoidmethoxyphenolmonosaccharidealkyl aryl ethercarboxylic acid derivativepyran carboxylic acidlactone1-o-glucuronidebeta-hydroxy acidorganic oxideacetalaromatic heteropolycyclic compoundpyranoneoxaneorganoheterocyclic compoundalcoholbenzopyranpyran carboxylic acid or derivativesheteroaromatic compoundhydroxy acid1-hydroxy-4-unsubstituted benzenoidmethoxybenzenecoumarinoxacyclepyrananisolesecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidphenoxy compound |
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