| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:24 UTC |
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| Update Date | 2025-03-25 00:50:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02183936 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H20O10 |
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| Molecular Mass | 396.1056 |
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| SMILES | O=C1CCC(Cc2ccc(OC3C(O)C(O)OC(C(=O)O)C3C(=O)O)cc2)O1 |
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| InChI Key | RPKYAVWIBHNTBV-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 | glucuronic acid derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alkyl aryl etherscarbonyl compoundscarboxylic acid esterscarboxylic acidsgamma butyrolactoneshemiacetalshydrocarbon derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenol ethersphenoxy compoundspyran carboxylic acidssecondary alcoholstetrahydrofuranstricarboxylic acids and derivatives |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidglucuronic acid or derivativesaromatic heteromonocyclic compoundmonosaccharidetricarboxylic acid or derivativesalkyl aryl ethercarboxylic acid derivativepyran carboxylic acidlactoneorganic oxidehemiacetaloxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativestetrahydrofurangamma butyrolactoneoxacyclepyrancarboxylic acid estersecondary alcoholhydrocarbon derivativebenzenoidphenoxy compound |
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