| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:50 UTC |
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| Update Date | 2025-03-25 00:53:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02200894 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C20H20O9 |
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| Molecular Mass | 404.1107 |
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| SMILES | COc1ccc2c3c(cc(OC4OC(C(=O)O)C(O)C(O)C4O)c2c1)CCC3=O |
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| InChI Key | DUKCALPZTBQJRC-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 ethersanisolesaryl alkyl ketonesbeta hydroxy acids and derivativescarboxylic acidsglucuronic acid derivativeshydrocarbon derivativesindanonesmonocarboxylic acids and derivativesmonosaccharidesnaphthalenesorganic oxidesoxacyclic compoundsoxanespyran carboxylic acidssecondary alcohols |
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| Substituents | phenol ethercarbonyl groupethercarboxylic acidaryl alkyl ketoneo-glucuronidemonosaccharidealkyl aryl ethercarboxylic acid derivativepyran carboxylic acidketone1-o-glucuronidebeta-hydroxy acidorganic oxideacetalaromatic heteropolycyclic compoundoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativesindanonehydroxy acidoxacyclemonocarboxylic acid or derivativesnaphthalenepyrananisoleindanesecondary alcoholhydrocarbon derivativebenzenoidaryl ketone |
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