Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 00:16:24 UTC |
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Update Date | 2025-03-21 18:34:35 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00101504 |
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Frequency | 26.9 |
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Structure | |
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Chemical Formula | C24H32O16 |
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Molecular Mass | 576.169 |
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SMILES | COc1cc(CC2CCC(=O)O2)cc(OC2OC(COC3OC(C(=O)O)C(O)C(O)C3O)C(O)C(O)C2O)c1O |
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InChI Key | AUKUPNFXDWTIGZ-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 derivativesgamma butyrolactonesglucuronic acid derivativeshydrocarbon derivativesmethoxybenzenesmethoxyphenolsmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundspyran carboxylic acidssecondary alcoholstetrahydrofurans |
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Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidaromatic heteromonocyclic compoundo-glucuronidemethoxyphenolmonosaccharidealkyl aryl ethercarboxylic acid derivativepyran carboxylic acidlactone1-o-glucuronidebeta-hydroxy acidorganic oxideacetaloxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativestetrahydrofuranhydroxy acidmethoxybenzenegamma butyrolactoneoxacyclepyrananisolecarboxylic acid estersecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidphenoxy compound |
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