| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:02:47 UTC |
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| Update Date | 2025-03-21 18:07:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00068821 |
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| Frequency | 44.0 |
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| Structure | |
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| Chemical Formula | C14H18O13S |
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| Molecular Mass | 426.0468 |
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| SMILES | COc1cc(C(O)OS(=O)(=O)O)ccc1OC1OC(C(=O)O)C(O)C(O)C1O |
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| InChI Key | YKOVWJQOZKDOFM-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 ethersalkyl sulfatesanisolesaromatic alcoholsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsglucuronic acid derivativeshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundspyran carboxylic acidssecondary alcoholssulfuric acid monoesters |
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| Substituents | aromatic alcoholphenol ethermonocyclic benzene moietysulfuric acid monoestercarbonyl groupethercarboxylic acidaromatic heteromonocyclic compoundo-glucuronidemonosaccharidealkyl aryl ethercarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetalalkyl sulfateoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativesorganic sulfuric acid or derivativeshydroxy acidmethoxybenzeneoxacyclemonocarboxylic acid or derivativespyrananisolesecondary alcoholsulfate-esterhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid ester |
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