| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:46:51 UTC |
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| Update Date | 2025-03-25 00:48:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02171235 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H22O11 |
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| Molecular Mass | 390.1162 |
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| SMILES | COc1cc(C(O)CO)ccc1OC1OC(C(=O)O)C(C(O)O)C(O)C1O |
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| InChI Key | GHLWDPQBHASDAY-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 | glucuronic acid derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | acetalsalkyl aryl ethersanisolesaromatic alcoholscarbonyl compoundscarbonyl hydratescarboxylic acidshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundsprimary alcoholspyran carboxylic acidssecondary alcohols |
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| Substituents | aromatic alcoholphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidglucuronic acid or derivativescarbonyl hydratearomatic heteromonocyclic compoundmonosaccharidealkyl aryl ethercarboxylic acid derivativepyran carboxylic acidorganic oxideacetaloxaneprimary alcoholorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativesmethoxybenzeneoxacyclemonocarboxylic acid or derivativespyrananisolesecondary alcoholhydrocarbon derivativebenzenoidphenoxy compound |
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