| Record Information |
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| HMDB Status | predicted |
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| Creation Date | 2024-02-21 14:55:14 UTC |
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| Update Date | 2025-03-25 00:51:56 UTC |
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| HMDB ID | HMDB0135680 |
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| Metabolite Identification |
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| DeepMet ID | DMID02190421 |
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| Name | 3,4,5-trihydroxy-6-[2-hydroxy-5-(3-oxobut-1-en-1-yl)phenoxy]oxane-2-carboxylic acid |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H18O9 |
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| Molecular Mass | 354.0951 |
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| SMILES | CC(=O)C=Cc1ccc(O)c(OC2OC(C(=O)O)C(O)C(O)C2O)c1 |
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| InChI Key | OHAINUUMXLQGNH-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-hydroxy-2-unsubstituted benzenoidsacetalsacryloyl compoundsbeta hydroxy acids and derivativescarboxylic acidsenonesglucuronic acid derivativeshydrocarbon derivativeshydroxycinnamic acidsketonesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenol ethersphenoxy compoundspyran carboxylic acidssecondary alcohols |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundo-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidealpha,beta-unsaturated ketonecarboxylic acid derivativepyran carboxylic acidhydroxycinnamic acid or derivativesketone1-o-glucuronidecinnamic acid or derivativesbeta-hydroxy acidorganic oxideacetaloxaneorganoheterocyclic compoundenonealcoholpyran carboxylic acid or derivativeshydroxy acidhydroxycinnamic acidoxacyclemonocarboxylic acid or derivativespyransecondary alcoholphenolhydrocarbon derivativebenzenoidacryloyl-groupphenoxy compound |
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