| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:26 UTC |
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| Update Date | 2025-03-25 00:46:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02156757 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H20O11 |
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| Molecular Mass | 400.1006 |
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| SMILES | O=C1CCC(Cc2cc(O)cc(OC3OC(C(=O)O)C(O)C(O)C3(O)O)c2)O1 |
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| InChI Key | YEAHYOAWIBDEGZ-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 | 1,1-diols1,2-diols1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalsbeta hydroxy acids and derivativescarbonyl compoundscarbonyl hydratescarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesgamma butyrolactonesglucuronic acid derivativeshydrocarbon derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenol ethersphenoxy compoundspyran carboxylic acidssecondary alcoholstetrahydrofurans |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidcarbonyl hydratearomatic heteromonocyclic compoundo-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativepyran carboxylic acidlactone1-o-glucuronidebeta-hydroxy acidorganic oxideacetaloxaneorganoheterocyclic compound1,2-diolalcoholpyran carboxylic acid or derivativestetrahydrofuranhydroxy acid1-hydroxy-4-unsubstituted benzenoid1,1-diolgamma butyrolactoneoxacyclepyrancarboxylic acid estersecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidphenoxy compound |
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