| Record Information |
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| HMDB Status | predicted |
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| Creation Date | 2024-02-21 00:29:09 UTC |
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| Update Date | 2025-03-21 18:41:02 UTC |
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| HMDB ID | HMDB0134106 |
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| Metabolite Identification |
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| DeepMet ID | DMID00132174 |
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| Name | 6-[3-(2-carboxyethyl)-4-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid |
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| Frequency | 19.1 |
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| Structure | |
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| Chemical Formula | C15H18O10 |
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| Molecular Mass | 358.09 |
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| SMILES | O=C(O)CCc1cc(OC2OC(C(=O)O)C(O)C(O)C2O)ccc1O |
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| InChI Key | RZMRAWCYCICYEB-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 benzenoids4-alkoxyphenolsacetalsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesglucuronic acid derivativeshydrocarbon derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenol ethersphenoxy compoundsphenylpropanoic acidspyran carboxylic acidssecondary alcohols |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compound3-phenylpropanoic-acido-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetaloxaneorganoheterocyclic compoundalcohol4-alkoxyphenolpyran carboxylic acid or derivativeshydroxy acidoxacyclepyransecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidphenoxy compound |
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