| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:05:46 UTC |
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| Update Date | 2025-03-21 18:29:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00075974 |
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| Frequency | 38.8 |
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| Structure | |
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| Chemical Formula | C20H18O10 |
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| Molecular Mass | 418.09 |
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| SMILES | COc1cc2c(cc1OC1OC(C(=O)O)C(O)C(O)C1O)oc(=O)c1ccccc12 |
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| InChI Key | HLQCBGGOQOMUBY-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-benzopyrans2-benzopyransacetalsalkyl aryl ethersanisolesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidscoumarins and derivativesglucuronic acid derivativesheteroaromatic compoundshydrocarbon derivativesisocoumarins and derivativeslactonesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanespyran carboxylic acidspyranones and derivativessecondary alcohols |
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| Substituents | phenol ethercarbonyl groupethercarboxylic acid1-benzopyrano-glucuronidemonosaccharidealkyl aryl ethercarboxylic acid derivativepyran carboxylic acidlactone1-o-glucuronidebeta-hydroxy acidorganic oxideacetalaromatic heteropolycyclic compoundpyranoneoxaneorganoheterocyclic compoundalcoholbenzopyranpyran carboxylic acid or derivativesheteroaromatic compoundhydroxy acidisocoumarincoumarinoxacyclemonocarboxylic acid or derivativespyrananisole2-benzopyransecondary alcoholhydrocarbon derivativebenzenoid |
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