| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:18:10 UTC |
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| Update Date | 2025-03-25 01:00:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02242782 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H18O12 |
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| Molecular Mass | 414.0798 |
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| SMILES | CC(=O)C1(OC2OC(C(=O)O)C(O)C(O)C2O)CC(=O)c2c(O)cc(O)cc2O1 |
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| InChI Key | IJEJBVKAIIWUGG-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 heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsaryl alkyl ketonesbenzenoidsbeta hydroxy acids and derivativescarboxylic acidschromonesglucuronic acid derivativeshydrocarbon derivativesketalsmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanespyran carboxylic acidssecondary alcoholsvinylogous acids |
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| Substituents | carbonyl groupcarboxylic acidaryl alkyl ketone1-benzopyrano-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativepyran carboxylic acidketone1-o-glucuronidebeta-hydroxy acidorganic oxideacetalchromonearomatic heteropolycyclic compoundketalchromaneoxaneorganoheterocyclic compoundalcoholbenzopyranpyran carboxylic acid or derivativeshydroxy acid1-hydroxy-4-unsubstituted benzenoidoxacyclevinylogous acidmonocarboxylic acid or derivativespyransecondary alcoholhydrocarbon derivativebenzenoidaryl ketone |
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