| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:46:41 UTC |
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| Update Date | 2025-03-21 18:01:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00030570 |
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| Frequency | 121.5 |
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| Structure | |
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| Chemical Formula | C18H24O11 |
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| Molecular Mass | 416.1319 |
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| SMILES | COC(=O)C1OC(OC(=O)CCC(O)Cc2cc(O)cc(O)c2)C(O)C(O)C1O |
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| InChI Key | IQKVAIHRFIKNGE-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 compoundsdicarboxylic acids and derivativesfatty acid estersglucuronic acid derivativeshydrocarbon derivativesmethyl estersmonosaccharidesorganic oxidesoxacyclic compoundsoxanespyran carboxylic acidsresorcinolssecondary alcohols |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl grouparomatic heteromonocyclic compoundo-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativepyran carboxylic acidresorcinol1-o-glucuronidebeta-hydroxy acidorganic oxidemethyl esteracetaloxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativeshydroxy acid1-hydroxy-4-unsubstituted benzenoidoxacyclefatty acid esterpyrancarboxylic acid estersecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoid |
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