| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:13:07 UTC |
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| Update Date | 2025-03-21 18:32:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00093516 |
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| Frequency | 29.8 |
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| Structure | |
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| Chemical Formula | C14H16NO4+ |
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| Molecular Mass | 262.1074 |
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| SMILES | OCC1OC([n+]2ccc3ccccc3c2)C(O)C1O |
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| InChI Key | USKNUOXBWLLCMK-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 | 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 | azacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonosaccharidesorganic cationsorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspolyhalopyridinesprimary alcoholssecondary alcoholstetrahydrofurans |
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| Substituents | alcoholazacycletetrahydrofuranpolyhalopyridineheteroaromatic compoundhydroxypyridinemonosaccharideoxacyclesaccharidepyridineorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundisoquinolinesecondary alcoholorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganic cationprimary alcoholorganooxygen compound |
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