| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:58:22 UTC |
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| Update Date | 2025-03-21 18:05:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00058285 |
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| Frequency | 54.2 |
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| Structure | |
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| Chemical Formula | C15H20O10 |
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| Molecular Mass | 360.1056 |
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| SMILES | COc1cc(COC2OC(C(=O)O)C(O)C(O)C2O)cc(OC)c1O |
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| InChI Key | WAVICOSKBGHQCL-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 acidsdimethoxybenzenesglucuronic acid derivativeshydrocarbon derivativesmethoxyphenolsmonocarboxylic acids and derivativesmonosaccharidesorganic 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 acid1-o-glucuronidedimethoxybenzenebeta-hydroxy acidorganic oxideacetaloxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativeshydroxy acidmethoxybenzeneoxacyclemonocarboxylic acid or derivativesm-dimethoxybenzenepyrananisolesecondary alcoholphenolhydrocarbon derivativebenzenoidphenoxy compound |
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