| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:46:39 UTC |
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| Update Date | 2025-03-25 00:48:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02170762 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C20H28O8 |
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| Molecular Mass | 396.1784 |
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| SMILES | COC(=O)C1OC(Oc2cccc(CC3CCC(O)CC3)c2)C(O)C(O)C1O |
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| InChI Key | ZPEQQEXIDFTVMP-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 compoundscyclic alcohols and derivativescyclohexanolsglucuronic acid derivativeshydrocarbon derivativesmethyl estersmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenol ethersphenoxy compoundspyran carboxylic acids |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl grouparomatic heteromonocyclic compoundo-glucuronidemonosaccharidecarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxidemethyl esteracetaloxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativescyclohexanolhydroxy acidcyclic alcoholoxacyclemonocarboxylic acid or derivativespyrancarboxylic acid estersecondary alcoholhydrocarbon derivativebenzenoidphenoxy compound |
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