| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:33 UTC |
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| Update Date | 2025-03-25 00:50:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02182042 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H15NO9 |
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| Molecular Mass | 377.0747 |
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| SMILES | O=C(O)C1OC(Oc2ccc3c(=O)c4[nH]ccc4oc3c2)C(O)C(O)C1O |
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| InChI Key | PBNVXZUNMJOUPQ-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 | acetalsazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidschromonesglucuronic acid derivativesheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesphenol etherspyran carboxylic acidspyranones and derivativespyrrolessecondary alcohols |
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| Substituents | phenol ethercarbonyl groupcarboxylic acid1-benzopyrano-glucuronidemonosaccharidecarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetalchromonearomatic heteropolycyclic compoundorganonitrogen compoundpyranoneorganopnictogen compoundoxaneorganoheterocyclic compoundalcoholbenzopyranpyran carboxylic acid or derivativesazacycleheteroaromatic compoundhydroxy acidoxacyclemonocarboxylic acid or derivativespyranpyrrolesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compound |
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