| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:28 UTC |
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| Update Date | 2025-03-25 00:57:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02225450 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H18O11 |
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| Molecular Mass | 398.0849 |
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| SMILES | CC(=O)Oc1cc(C=CC(=O)O)ccc1OC1OC(C(=O)O)C(O)C(O)C1O |
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| InChI Key | MZBIDPNWNHSMGY-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 | acetalsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidscinnamic acids and derivativesglucuronic acid derivativeshydrocarbon derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenol estersphenol ethersphenoxy compoundspyran carboxylic acidssecondary alcoholstricarboxylic acids and derivatives |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundo-glucuronidemonosaccharidetricarboxylic acid or derivativescarboxylic acid derivativepyran carboxylic acid1-o-glucuronidecinnamic acid or derivativesbeta-hydroxy acidorganic oxideacetaloxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativeshydroxy acidoxacyclepyrancarboxylic acid esterphenol estersecondary alcoholhydrocarbon derivativebenzenoidphenoxy compound |
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