| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:20 UTC |
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| Update Date | 2025-03-25 00:46:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02156557 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C21H21NO9 |
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| Molecular Mass | 431.1216 |
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| SMILES | O=C1CC(c2ccc(O)cc2)c2ccc(OC3OC(C(=O)O)C(O)C(O)C3O)cc2N1 |
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| InChI Key | GCAKDYMSEUKVBP-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | quinolines and derivatives |
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| Subclass | phenylquinolines |
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| Direct Parent | phenylquinolines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsacetalsazacyclic compoundsbenzene and substituted derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsglucuronic acid derivativeshydrocarbon derivativeshydroquinolineshydroquinoloneslactamsmonocarboxylic acids and derivativesmonosaccharideso-glucuronidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesphenol etherspyran carboxylic acidssecondary alcoholssecondary carboxylic acid amides |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl grouplactamcarboxylic acidglucuronic acid or derivativesphenylquinolineo-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidsaccharideorganic oxideacetalaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundoxanetetrahydroquinolinealcoholquinolonetetrahydroquinolonepyran carboxylic acid or derivativesazacyclehydroxy acidcarboxamide groupoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundpyransecondary alcoholphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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