| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:41:27 UTC |
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| Update Date | 2025-03-25 00:47:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02158998 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H16NO6+ |
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| Molecular Mass | 294.0972 |
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| SMILES | OCC1OC([n+]2cc3c(O)cccc3cc2O)C(O)C1O |
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| InChI Key | CVLCIXAPFPRIEM-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 | isoquinolines and derivatives |
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| Subclass | isoquinolines and derivatives |
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| Direct Parent | isoquinolines 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-halopyridinesazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonosaccharidesorganic cationsorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspolyhalopyridinesprimary alcoholssecondary alcoholstetrahydrofurans |
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| Substituents | polyhalopyridine1-hydroxy-2-unsubstituted benzenoidmonosaccharidesaccharidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound2-halopyridineorganic cationprimary alcoholalcoholazacycletetrahydrofuranheteroaromatic compoundhydroxypyridine1-hydroxy-4-unsubstituted benzenoidoxacyclepyridineorganic oxygen compoundisoquinolinesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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