| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:01 UTC |
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| Update Date | 2025-03-25 00:57:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02222219 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H18N2O6 |
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| Molecular Mass | 322.1165 |
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| SMILES | OCC1OC(O)(CNc2ccnc3cc(O)ccc23)C(O)C1O |
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| InChI Key | PACKSPPDDYCCDF-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 | quinolines and derivatives |
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| Direct Parent | quinolines and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids2-halopyridinesazacyclic compoundsbenzenoidshemiacetalsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonosaccharidesorganopnictogen compoundsoxacyclic compoundspolyhalopyridinesprimary alcoholssecondary alcoholssecondary alkylarylaminestetrahydrofurans |
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| Substituents | polyhalopyridine1-hydroxy-2-unsubstituted benzenoidmonosaccharidesaccharidearomatic heteropolycyclic compoundorganonitrogen compoundquinolineorganopnictogen compoundhemiacetal2-halopyridineprimary alcoholalcoholazacycletetrahydrofuranheteroaromatic compoundhydroxypyridinesecondary aminesecondary aliphatic/aromatic amineoxacyclepyridineorganic oxygen compoundsecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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