| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:51:44 UTC |
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| Update Date | 2025-03-21 18:03:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00042691 |
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| Frequency | 80.0 |
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| Structure | |
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| Chemical Formula | C15H15NO9 |
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| Molecular Mass | 353.0747 |
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| SMILES | O=C(O)C1OC(Oc2cc3c(=O)[nH]ccc3cc2O)C(O)C(O)C1O |
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| InChI Key | CRAMNGHRTUHCEA-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 benzenoidsacetalsazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsglucuronic acid derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesisoquinolones and derivativeslactamsmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesphenol etherspolyhalopyridinespyran carboxylic acidspyridinonessecondary alcohols |
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| Substituents | phenol ethercarbonyl grouplactamcarboxylic acidpolyhalopyridineo-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetalaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundisoquinoloneoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativesazacycleheteroaromatic compoundhydroxypyridinehydroxy acidoxacyclemonocarboxylic acid or derivativespyridinepyranisoquinolinesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundpyridinone |
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