| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:17:18 UTC |
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| Update Date | 2025-03-25 01:00:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02240790 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H22O10 |
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| Molecular Mass | 410.1213 |
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| SMILES | CC(=O)OC1C(C(=O)O)OC(Oc2cccc(CC3CCC(=O)O3)c2)C(O)C1O |
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| InChI Key | UILOJXJABYGJNL-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 heteromonocyclic compounds |
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| Alternative Parents | 1,2-diolsacetalscarbonyl compoundscarboxylic acid esterscarboxylic acidsgamma butyrolactonesglucuronic acid derivativeshydrocarbon derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenol ethersphenoxy compoundspyran carboxylic acidssecondary alcoholstetrahydrofuranstricarboxylic acids and derivatives |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundo-glucuronidemonosaccharidetricarboxylic acid or derivativescarboxylic acid derivativepyran carboxylic acidlactone1-o-glucuronideorganic oxideacetaloxaneorganoheterocyclic compound1,2-diolalcoholpyran carboxylic acid or derivativestetrahydrofurangamma butyrolactoneoxacyclepyrancarboxylic acid estersecondary alcoholhydrocarbon derivativebenzenoidphenoxy compound |
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