| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:45:23 UTC |
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| Update Date | 2025-03-21 18:00:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00027549 |
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| Frequency | 137.6 |
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| Structure | |
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| Chemical Formula | C20H28O9 |
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| Molecular Mass | 412.1733 |
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| SMILES | CC(C)Cc1ccc(C(C)C(=O)OCOC2OC(C(=O)O)C(O)C(O)C2O)cc1 |
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| InChI Key | CSHLPZXRLUYBFR-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 monoterpenoidsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesglucuronic acid derivativeshydrocarbon derivativesmonocyclic monoterpenoidsmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenylpropanespyran carboxylic acidssecondary alcohols |
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| Substituents | monoterpenoidmonocyclic benzene moietycarbonyl groupmonocyclic monoterpenoidcarboxylic acidaromatic heteromonocyclic compoundo-glucuronidemonosaccharidep-cymenecarboxylic acid derivativepyran carboxylic acidphenylpropane1-o-glucuronidebeta-hydroxy acidorganic oxideacetaloxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativeshydroxy acidoxacyclepyrancarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidaromatic monoterpenoid |
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