| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:48:52 UTC |
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| Update Date | 2025-03-25 00:49:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02175906 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H20NO7+ |
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| Molecular Mass | 374.1234 |
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| SMILES | OCC1OC([n+]2cc3cc(O)ccc3c3ccc(O)cc32)C(O)C(O)C1O |
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| InChI Key | MSPYRRHRJVQFHF-UHFFFAOYSA-O |
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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 | benzoquinolines |
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| Direct Parent | phenanthridines and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids2-halopyridinesazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesisoquinolines and derivativesmonosaccharidesorganic cationsorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespolyhalopyridinesprimary alcoholssecondary alcohols |
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| Substituents | polyhalopyridine1-hydroxy-2-unsubstituted benzenoidmonosaccharidesaccharidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound2-halopyridineorganic cationoxaneprimary alcoholalcoholazacycleheteroaromatic compoundhydroxypyridineoxacyclepyridineorganic oxygen compoundisoquinolinesecondary alcoholhydrocarbon derivativebenzenoidphenanthridineorganic nitrogen compoundorganooxygen compound |
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