| Record Information |
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| HMDB Status | predicted |
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| Creation Date | 2024-02-20 23:44:37 UTC |
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| Update Date | 2025-03-21 18:00:12 UTC |
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| HMDB ID | HMDB0127963 |
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| Metabolite Identification |
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| DeepMet ID | DMID00025776 |
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| Name | 6-[5-(2-carboxyeth-1-en-1-yl)-2-hydroxy-3-methoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid |
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| Frequency | 149.3 |
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| Structure | |
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| Chemical Formula | C16H18O11 |
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| Molecular Mass | 386.0849 |
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| SMILES | COc1cc(C=CC(=O)O)cc(OC2OC(C(=O)O)C(O)C(O)C2O)c1O |
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| InChI Key | SPEQCBOXISIMGL-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 | acetalsalkyl aryl ethersanisolesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesglucuronic acid derivativeshydrocarbon derivativeshydroxycinnamic acidsmethoxybenzenesmethoxyphenolsmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundspyran carboxylic acidssecondary alcohols |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidaromatic heteromonocyclic compoundo-glucuronidemethoxyphenolmonosaccharidealkyl aryl ethercarboxylic acid derivativepyran carboxylic acidhydroxycinnamic acid or derivatives1-o-glucuronidecinnamic acid or derivativesbeta-hydroxy acidorganic oxideacetaloxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativeshydroxy acidmethoxybenzenehydroxycinnamic acidoxacyclepyrananisolesecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidphenoxy compound |
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