| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:27:29 UTC |
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| Update Date | 2025-03-21 18:40:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00128207 |
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| Frequency | 19.9 |
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| Structure | |
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| Chemical Formula | C18H15NO9 |
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| Molecular Mass | 389.0747 |
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| SMILES | O=C(O)C1OC(Oc2ccc3c(c2)oc(=O)c2cnccc23)C(O)C(O)C1O |
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| InChI Key | ZFSVQSJYDMZUTC-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-benzopyransacetalsazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidscoumarins and derivativesglucuronic acid derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridineslactonesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesphenol etherspolyhalopyridinespyran carboxylic acidspyranones and derivativessecondary alcohols |
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| Substituents | phenol ethercarbonyl groupcarboxylic acid1-benzopyranpolyhalopyridineo-glucuronidemonosaccharidecarboxylic acid derivativepyran carboxylic acidlactone1-o-glucuronidebeta-hydroxy acidorganic oxideacetalaromatic heteropolycyclic compoundorganonitrogen compoundpyranoneorganopnictogen compoundoxaneorganoheterocyclic compoundalcoholbenzopyranpyran carboxylic acid or derivativesazacycleheteroaromatic compoundhydroxypyridinehydroxy acidcoumarinoxacyclemonocarboxylic acid or derivativespyridinepyransecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compound |
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