| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:50:05 UTC |
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| Update Date | 2025-03-21 18:02:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00038763 |
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| Frequency | 90.1 |
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| Structure | |
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| Chemical Formula | C15H20O8 |
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| Molecular Mass | 328.1158 |
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| SMILES | COCCc1ccc(OC2OC(C(=O)O)C(O)C(O)C2O)cc1 |
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| InChI Key | XEZIISWXWDJVBH-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 acidsdialkyl ethersglucuronic acid derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenol ethersphenoxy compoundspyran carboxylic acidssecondary alcoholstyrosols and derivatives |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidaromatic heteromonocyclic compoundo-glucuronidemonosaccharidecarboxylic acid derivativepyran carboxylic aciddialkyl ether1-o-glucuronidebeta-hydroxy acidorganic oxideacetaltyrosol derivativeoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativeshydroxy acidoxacyclemonocarboxylic acid or derivativespyransecondary alcoholhydrocarbon derivativebenzenoidphenoxy compound |
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