| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:26:49 UTC |
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| Update Date | 2025-03-21 18:39:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00126609 |
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| Frequency | 20.2 |
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| Structure | |
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| Chemical Formula | C13H16O9 |
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| Molecular Mass | 316.0794 |
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| SMILES | Cc1cc(O)c(O)c(OC2OC(C(=O)O)C(O)C(O)C2O)c1 |
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| InChI Key | JKXROCIMHNNNEN-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 benzenoidsacetalsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsglucuronic acid derivativeshydrocarbon derivativesmeta cresolsmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanespara cresolsphenol ethersphenoxy compoundspyran carboxylic acidssecondary alcoholstoluenes |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundo-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetalp-cresoloxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativesm-cresolhydroxy acid1-hydroxy-4-unsubstituted benzenoidoxacyclemonocarboxylic acid or derivativespyransecondary alcoholphenolhydrocarbon derivativebenzenoidphenoxy compoundtoluene |
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