| Record Information |
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| HMDB Status | predicted |
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| Creation Date | 2024-02-20 23:47:40 UTC |
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| Update Date | 2025-03-21 18:01:27 UTC |
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| HMDB ID | HMDB0125159 |
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| Metabolite Identification |
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| DeepMet ID | DMID00032944 |
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| Name | 6-(4-carboxy-3,5-dihydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid |
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| Frequency | 110.5 |
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| Structure | |
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| Chemical Formula | C13H14O11 |
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| Molecular Mass | 346.0536 |
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| SMILES | O=C(O)c1c(O)cc(OC2OC(C(=O)O)C(O)C(O)C2O)cc1O |
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| InChI Key | KKPQOLZLDYNQRR-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-carboxy-2-haloaromatic compounds1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalsbenzoic acidsbenzoyl derivativesbeta hydroxy acids and derivativescarbonyl compoundsdicarboxylic acids and derivativesglucuronic acid derivativeshydrocarbon derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenol ethersphenoxy compoundspyran carboxylic acidsresorcinolssalicylic acidssecondary alcoholsvinylogous acids |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundbenzoylo-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidesalicylic acidcarboxylic acid derivativepyran carboxylic acidresorcinol1-o-glucuronidebeta-hydroxy acidorganic oxideacetal1-carboxy-2-haloaromatic compoundbenzoic acidoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativesbenzoic acid or derivativeshydroxy acid1-hydroxy-4-unsubstituted benzenoidhydroxybenzoic acidoxacyclevinylogous acidsalicylic acid or derivativespyransecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidphenoxy compound |
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