| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:35 UTC |
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| Update Date | 2025-03-25 00:49:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02177596 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H18O10 |
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| Molecular Mass | 346.09 |
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| SMILES | COc1cc(C)c(O)c(OC2OC(C(=O)O)C(O)C(O)C2O)c1O |
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| InChI Key | JBJMZXLPFYEEJX-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 | 4-alkoxyphenolsacetalsalkyl aryl ethersanisolesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsglucuronic acid derivativeshydrocarbon derivativesmethoxybenzenesmethoxyphenolsmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesortho cresolsoxacyclic compoundsoxanespara cresolsphenoxy compoundspyran carboxylic acidsresorcinolssecondary alcoholstoluenes |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidaromatic heteromonocyclic compoundmethoxyphenolo-glucuronidemonosaccharidealkyl aryl ethercarboxylic acid derivativepyran carboxylic acidresorcinol1-o-glucuronidebeta-hydroxy acidorganic oxideacetalp-cresolo-cresoloxaneorganoheterocyclic compoundalcohol4-alkoxyphenolpyran carboxylic acid or derivativeshydroxy acidmethoxybenzeneoxacyclemonocarboxylic acid or derivativespyrananisolesecondary alcoholphenolhydrocarbon derivativebenzenoidphenoxy compoundtoluene |
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