| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:17:58 UTC |
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| Update Date | 2025-03-25 01:00:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02242333 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C21H28O10 |
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| Molecular Mass | 440.1682 |
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| SMILES | CC(C)Cc1ccc(C(CCC(=O)O)C(=O)OC2OC(C(=O)O)C(O)C(O)C2O)cc1 |
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| InChI Key | YOIVVGBSNAHBOK-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 acidsfatty acid estersglucuronic acid derivativeshydrocarbon derivativesmonocyclic monoterpenoidsmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenylpropanespyran carboxylic acidssecondary alcoholstricarboxylic acids and derivatives |
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| Substituents | fatty acylmonoterpenoidmonocyclic benzene moietycarbonyl groupmonocyclic monoterpenoidcarboxylic acidaromatic heteromonocyclic compoundo-glucuronidemonosaccharidetricarboxylic acid or derivativesp-cymenecarboxylic acid derivativepyran carboxylic acidphenylpropane1-o-glucuronidebeta-hydroxy acidorganic oxideacetaloxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativeshydroxy acidoxacyclefatty acid esterpyrancarboxylic acid estersecondary alcoholhydrocarbon derivativebenzenoidaromatic monoterpenoid |
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