| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:21 UTC |
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| Update Date | 2025-03-25 00:51:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02186131 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C22H30O16 |
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| Molecular Mass | 550.1534 |
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| SMILES | O=C(CCC(O)Cc1cc(O)c(O)c(O)c1)OC(=O)CCC(O)OCOC1OC(C(=O)O)C(O)C(O)C1O |
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| InChI Key | DQHPHEIPKDLSAF-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 benzenoidsacetalsbenzene and substituted derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid anhydridescarboxylic acidsglucuronic acid derivativeshemiacetalshydrocarbon derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanespyran carboxylic acidspyrogallols and derivativessecondary alcoholstricarboxylic acids and derivatives |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundo-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidetricarboxylic acid or derivativescarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetalhemiacetaloxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativespyrogallol derivativebenzenetriolhydroxy acid1-hydroxy-4-unsubstituted benzenoidoxacyclepyrancarboxylic acid anhydridesecondary alcoholphenolhydrocarbon derivativebenzenoid |
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