| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:39:27 UTC |
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| Update Date | 2025-03-21 17:58:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00014204 |
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| Frequency | 310.8 |
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| Structure | |
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| Chemical Formula | C15H20O7 |
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| Molecular Mass | 312.1209 |
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| SMILES | CC(C)c1ccc(OC2OC(C(=O)O)C(O)C(O)C2O)cc1 |
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| InChI Key | SNKJPAACBYGQFK-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 | acetalsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidscumenesglucuronic acid derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenol ethersphenoxy compoundsphenylpropanespyran carboxylic acidssecondary alcohols |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundo-glucuronidemonosaccharidecarboxylic acid derivativepyran carboxylic acid1-o-glucuronidephenylpropanebeta-hydroxy acidorganic oxideacetalcumeneoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativeshydroxy acidoxacyclemonocarboxylic acid or derivativespyransecondary alcoholhydrocarbon derivativebenzenoidphenoxy compound |
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