| Record Information |
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| HMDB Status | predicted |
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| Creation Date | 2024-02-20 23:44:34 UTC |
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| Update Date | 2025-03-21 18:00:10 UTC |
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| HMDB ID | HMDB0128002 |
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| Metabolite Identification |
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| DeepMet ID | DMID00025631 |
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| Name | 6-[5-(2-carboxyethyl)-2-hydroxy-3-methoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid |
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| Frequency | 150.3 |
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| Structure | |
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| Chemical Formula | C16H20O11 |
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| Molecular Mass | 388.1006 |
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| SMILES | COc1cc(CCC(=O)O)cc(OC2OC(C(=O)O)C(O)C(O)C2O)c1O |
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| InChI Key | KXHRSEOLOUUWOT-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 derivativesmethoxybenzenesmethoxyphenolsmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundsphenylpropanoic acidspyran carboxylic acidssecondary alcohols |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidaromatic heteromonocyclic compound3-phenylpropanoic-acido-glucuronidemethoxyphenolmonosaccharidealkyl aryl ethercarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetaloxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativeshydroxy acidmethoxybenzeneoxacyclepyrananisolesecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidphenoxy compound |
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