| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:12:57 UTC |
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| Update Date | 2025-03-21 18:32:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00093088 |
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| Frequency | 30.0 |
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| Structure | |
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| Chemical Formula | C16H14O12 |
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| Molecular Mass | 398.0485 |
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| SMILES | O=C(O)c1cc(=O)c2c(O)cc(OC3OC(C(=O)O)C(O)C(O)C3O)cc2o1 |
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| InChI Key | UIWYLSUEQQYPID-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 benzenoidsacetalsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidschromonesdicarboxylic acids and derivativesglucuronic acid derivativesheteroaromatic compoundshydrocarbon derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenol etherspyran carboxylic acidspyranones and derivativessecondary alcoholsvinylogous acids |
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| Substituents | phenol ethercarbonyl groupcarboxylic acid1-benzopyrano-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetalchromonearomatic heteropolycyclic compoundpyranoneoxaneorganoheterocyclic compoundalcoholbenzopyranpyran carboxylic acid or derivativesheteroaromatic compoundhydroxy acid1-hydroxy-4-unsubstituted benzenoidoxacyclevinylogous acidpyransecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoid |
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