| 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 | DMID02163086 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C20H28O13 |
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| Molecular Mass | 476.153 |
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| SMILES | O=C(CCC(O)Cc1cc(O)cc(O)c1)OCOC1C(O)CC(O)(C(=O)O)OC1C(O)CO |
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| InChI Key | DFHVMSGNWDLNGG-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 | c-glucuronides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalsalpha hydroxy acids and derivativesbenzene and substituted derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesfatty acid estershemiacetalshydrocarbon derivativesorganic oxidesoxacyclic compoundsoxanesprimary alcoholspyran carboxylic acidsresorcinolssecondary alcohols |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundalpha-hydroxy acid1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativepyran carboxylic acidresorcinolorganic oxideacetalhemiacetaloxaneprimary alcoholorganoheterocyclic compoundc-glucuronidealcoholpyran carboxylic acid or derivativeshydroxy acid1-hydroxy-4-unsubstituted benzenoidoxacyclefatty acid esterpyrancarboxylic acid estersecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoid |
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