| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:27 UTC |
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| Update Date | 2025-03-25 00:59:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02236599 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H18NO3+ |
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| Molecular Mass | 296.1281 |
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| SMILES | COc1ccc2c(c1)c[n+](CCCC(=O)O)c1ccccc21 |
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| InChI Key | LYEUQTPSNBSBJN-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 | 2-halopyridinesalkyl aryl ethersanisolesazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesisoquinolines and derivativesmethylpyridinesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridines |
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| Substituents | phenol ethercarbonyl groupethercarboxylic acidpolyhalopyridinealkyl aryl ethercarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound2-halopyridineorganic cationazacycleheteroaromatic compoundhydroxypyridinemethylpyridinemonocarboxylic acid or derivativespyridineorganic oxygen compoundanisoleisoquinolinehydrocarbon derivativebenzenoidphenanthridineorganic nitrogen compoundorganooxygen compound |
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