| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:43 UTC |
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| Update Date | 2025-03-25 00:53:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02202869 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C21H25NO15 |
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| Molecular Mass | 531.1224 |
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| SMILES | O=C1CCc2c(cc(OC3OC(C(=O)O)C(O)C(O)C3O)cc2OC2OC(C(=O)O)C(O)C(O)C2O)N1 |
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| InChI Key | LZAGXWREMHBHJQ-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 acidsdicarboxylic acids and derivativesglucuronic acid derivativeshydrocarbon derivativeshydroquinolineshydroquinoloneslactamsmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesphenol etherspyran carboxylic acidssecondary alcoholssecondary carboxylic acid amides |
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| Substituents | phenol ethercarbonyl grouplactamcarboxylic acido-glucuronidemonosaccharidecarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetalaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundoxanetetrahydroquinolineorganoheterocyclic compoundalcoholquinolonetetrahydroquinolonepyran carboxylic acid or derivativesazacyclehydroxy acidcarboxamide groupoxacyclesecondary carboxylic acid amidepyransecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compound |
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