| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:58 UTC |
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| Update Date | 2025-03-25 00:53:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02201219 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C21H18O12 |
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| Molecular Mass | 462.0798 |
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| SMILES | COc1ccc(-c2coc3cc(OC4OC(C(=O)O)C(O)C(O)C4O)oc(=O)c3c2=O)cc1 |
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| InChI Key | QTXCINWBNQNGES-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 ethersanisolesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsglucuronic acid derivativesheteroaromatic compoundshydrocarbon derivativeslactonesmethoxybenzenesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundspyran carboxylic acidspyranones and derivativessecondary alcohols |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acido-glucuronidemonosaccharidealkyl aryl ethercarboxylic acid derivativepyran carboxylic acidlactone1-o-glucuronidebeta-hydroxy acidorganic oxideacetalaromatic heteropolycyclic compoundpyranoneoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativesheteroaromatic compoundhydroxy acidmethoxybenzeneoxacyclemonocarboxylic acid or derivativespyrananisolesecondary alcoholhydrocarbon derivativebenzenoidphenoxy compound |
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