| Record Information |
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| HMDB Status | predicted |
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| Creation Date | 2024-02-20 23:37:52 UTC |
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| Update Date | 2025-03-21 17:57:50 UTC |
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| HMDB ID | HMDB0126444 |
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| Metabolite Identification |
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| DeepMet ID | DMID00010533 |
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| Name | 6-(4-carboxy-3-hydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid |
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| Frequency | 446.5 |
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| Structure | |
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| Chemical Formula | C13H14O10 |
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| Molecular Mass | 330.0587 |
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| SMILES | O=C(O)c1ccc(OC2OC(C(=O)O)C(O)C(O)C2O)cc1O |
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| InChI Key | HTVZPXVZCIIMAA-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 acidssalicylic 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 acid1-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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