| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:58 UTC |
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| Update Date | 2025-03-25 00:53:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02201241 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H14NO2+ |
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| Molecular Mass | 240.1019 |
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| SMILES | COc1cc2c[n+]3cc(c2cc1OC)C=CC=C3 |
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| InChI Key | SQHKXXYUGYJEMP-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 | alkyl aryl ethersanisolesazacyclic compoundsazepinesheteroaromatic compoundshydrocarbon derivativesmethylpyridinesorganic cationsorganonitrogen compoundsorganopnictogen compoundspolyhalopyridines |
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| Substituents | phenol etheretherazacyclepolyhalopyridineheteroaromatic compoundmethylpyridinealkyl aryl etherpyridineorganic oxygen compoundazepinearomatic heteropolycyclic compoundanisoleorganonitrogen compoundisoquinolineorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganic cationorganooxygen compound |
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