| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:49 UTC |
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| Update Date | 2025-03-25 00:53:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02200880 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H16NO3+ |
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| Molecular Mass | 270.1125 |
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| SMILES | COc1ccc2c(c1)c[n+](C)c1ccc(O)c(OC)c21 |
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| InChI Key | DYCPSPNJUKIBCL-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-halopyridinesalkyl aryl ethersanisolesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeshydroxypyridineshydroxyquinolinesisoquinolines and derivativesmethylpyridinesorganic cationsorganonitrogen compoundsorganopnictogen compoundspolyhalopyridines |
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| Substituents | phenol etheretherpolyhalopyridine1-hydroxy-2-unsubstituted benzenoidalkyl aryl etheraromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound2-halopyridineorganic cationazacycleheteroaromatic compoundhydroxypyridinemethylpyridinehydroxyquinolinepyridineorganic oxygen compoundanisoleisoquinolinehydrocarbon derivativebenzenoidphenanthridineorganic nitrogen compoundorganooxygen compound |
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