| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:24 UTC |
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| Update Date | 2025-03-25 00:50:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02179438 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C22H22O10 |
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| Molecular Mass | 446.1213 |
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| SMILES | COc1ccc2c(c1)C(=O)OC2Cc1cccc(OC2OC(C(=O)O)C(O)C(O)C2O)c1 |
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| InChI Key | QFNXZZNCYKALKU-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 | acetalsalkyl aryl ethersanisolesbenzofuranonesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesglucuronic acid derivativeshydrocarbon derivativeslactonesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundsphthalidespyran carboxylic acidssecondary alcohols |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidbenzofuranoneo-glucuronidemonosaccharidealkyl aryl ethercarboxylic acid derivativepyran carboxylic acidphthalidelactone1-o-glucuronidebeta-hydroxy acidorganic oxideisobenzofuranoneisocoumaranacetalaromatic heteropolycyclic compoundoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativesbenzofuranhydroxy acidoxacyclepyrananisolecarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidphenoxy compound |
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