| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:47 UTC |
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| Update Date | 2025-03-25 00:54:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02207599 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C21H20O12 |
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| Molecular Mass | 464.0955 |
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| SMILES | O=C(C=Cc1ccc(O)c(O)c1)OC1C(Oc2cc(O)cc(O)c2)OC(C(=O)O)C(O)C1O |
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| InChI Key | GPEYJGWGCXNOTM-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-diols1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesenoate estersfatty acid estersglucuronic acid derivativeshydrocarbon derivativeshydroxycinnamic acidsmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenol ethersphenoxy compoundspyran carboxylic acidsresorcinolssecondary alcohols |
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| Substituents | fatty acylphenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundo-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativepyran carboxylic acidhydroxycinnamic acid or derivativesresorcinol1-o-glucuronidealpha,beta-unsaturated carboxylic estercinnamic acid or derivativesbeta-hydroxy acidorganic oxideacetaloxaneorganoheterocyclic compound1,2-diolenoate esteralcoholpyran carboxylic acid or derivativeshydroxy acid1-hydroxy-4-unsubstituted benzenoidhydroxycinnamic acidoxacyclefatty acid esterpyrancarboxylic acid estersecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidphenoxy compound |
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