| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:22:52 UTC |
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| Update Date | 2025-03-21 18:37:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00117304 |
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| Frequency | 22.3 |
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| Structure | |
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| Chemical Formula | C19H26O12 |
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| Molecular Mass | 446.1424 |
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| SMILES | COc1cc(CC(O)CCC(=O)OC2OC(C(=O)O)C(O)C(O)C2O)cc(OC)c1O |
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| InChI Key | XDSRKGZJOXPDTI-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 acid esterscarboxylic acidsdicarboxylic acids and derivativesdimethoxybenzenesfatty acid estersglucuronic acid derivativeshydrocarbon derivativesmethoxyphenolsmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundspyran carboxylic acidssecondary alcohols |
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| Substituents | fatty acylphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidaromatic heteromonocyclic compoundo-glucuronidemethoxyphenolmonosaccharidealkyl aryl ethercarboxylic acid derivativepyran carboxylic acid1-o-glucuronidedimethoxybenzenebeta-hydroxy acidorganic oxideacetaloxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativeshydroxy acidmethoxybenzeneoxacyclefatty acid esterm-dimethoxybenzenepyrananisolecarboxylic acid estersecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidphenoxy compound |
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