| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:44:18 UTC |
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| Update Date | 2025-03-21 18:00:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00025007 |
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| Frequency | 154.9 |
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| Structure | |
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| Chemical Formula | C18H22O10 |
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| Molecular Mass | 398.1213 |
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| SMILES | CC(C(=O)O)c1ccc(C(C)C(=O)OC2OC(C(=O)O)C(O)C(O)C2O)cc1 |
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| InChI Key | BPXVZRRWNSFVJE-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 | acetalsaromatic monoterpenoidsbenzene and substituted derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsglucuronic acid derivativeshydrocarbon derivativesmonocyclic monoterpenoidsmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenylpropanoic acidspyran carboxylic acidssecondary alcoholstricarboxylic acids and derivatives |
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| Substituents | monoterpenoidmonocyclic benzene moietycarbonyl groupmonocyclic monoterpenoidcarboxylic acidaromatic heteromonocyclic compoundo-glucuronidemonosaccharidetricarboxylic acid or derivativesp-cymenecarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxide2-phenylpropanoic-acidacetaloxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativeshydroxy acidoxacyclepyrancarboxylic acid estersecondary alcoholhydrocarbon derivativebenzenoidaromatic monoterpenoid |
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