| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:17 UTC |
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| Update Date | 2025-03-25 00:47:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02163078 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C25H34O18 |
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| Molecular Mass | 622.1745 |
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| SMILES | O=C(CCC(O)Cc1ccc(O)c(O)c1)OC1C(O)CC(OC2OC(C(=O)O)C(O)C(O)C2O)(C(=O)O)OC1C(O)CO |
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| InChI Key | INGNKGGVNSAHGU-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 | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsbenzene and substituted derivativesbeta hydroxy acids and derivativesc-glucuronidescarbonyl compoundscarboxylic acid esterscarboxylic acidsfatty acid estersglucuronic acid derivativeshydrocarbon derivativesketalsmonosaccharidesorganic oxidesoxacyclic compoundsoxanesprimary alcoholspyran carboxylic acidssecondary alcoholstricarboxylic acids and derivatives |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundo-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidetricarboxylic acid or derivativescarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetalketaloxaneprimary alcoholorganoheterocyclic compoundc-glucuronidealcoholpyran carboxylic acid or derivativeshydroxy acid1-hydroxy-4-unsubstituted benzenoidoxacyclefatty acid esterpyrancarboxylic acid estersecondary alcoholphenolhydrocarbon derivativebenzenoid |
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