| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:18:52 UTC |
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| Update Date | 2025-03-25 01:00:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02244456 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H22O10 |
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| Molecular Mass | 386.1213 |
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| SMILES | CCCC(=O)c1c(O)cc(O)cc1OC1OC(C(=O)OC)C(O)C(O)C1O |
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| InChI Key | CTIYBQGFXUWUNA-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 benzenoidsacetalsalkyl-phenylketonesaryl alkyl ketonesbenzoyl derivativesbeta hydroxy acids and derivativesbutyrophenonesglucuronic acid derivativeshydrocarbon derivativesmethyl estersmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenol ethersphenoxy compoundspyran carboxylic acidsresorcinolssecondary alcoholsvinylogous acids |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl grouparyl alkyl ketonearomatic heteromonocyclic compoundbenzoylo-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativepyran carboxylic acidresorcinolketone1-o-glucuronidebeta-hydroxy acidorganic oxidemethyl esteracetaloxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativeshydroxy acid1-hydroxy-4-unsubstituted benzenoidphenylketonebutyrophenoneoxacyclevinylogous acidmonocarboxylic acid or derivativespyrancarboxylic acid estersecondary alcoholphenolhydrocarbon derivativebenzenoidphenoxy compoundalkyl-phenylketonearyl ketone |
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