| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:04:43 UTC |
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| Update Date | 2025-03-21 18:28:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00073479 |
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| Frequency | 40.6 |
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| Structure | |
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| Chemical Formula | C16H19NO8 |
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| Molecular Mass | 353.1111 |
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| SMILES | OCC(O)C1OC(Oc2ccc3cccc(O)c3n2)C(O)C(O)C1O |
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| InChI Key | JDXWDJLEGODGTD-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 | quinolones and derivatives |
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| Direct Parent | quinolones and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids2-halopyridines8-hydroxyquinolinesacetalsazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonosaccharidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespolyhalopyridinesprimary alcoholssecondary alcohols |
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| Substituents | polyhalopyridine1-hydroxy-2-unsubstituted benzenoidmonosaccharidesaccharideacetalaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound2-halopyridineoxaneprimary alcoholalcoholquinolone8-hydroxyquinolineazacycleheteroaromatic compoundhydroxypyridine1-hydroxy-4-unsubstituted benzenoidoxacyclepyridineorganic oxygen compoundsecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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