| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:51 UTC |
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| Update Date | 2025-03-25 00:50:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02180465 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H19N2O2+ |
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| Molecular Mass | 259.1441 |
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| SMILES | C[N+](C)(C)C(Cc1nccc2ccccc12)C(=O)O |
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| InChI Key | HUXUCXPOAWEWHX-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 | 2-halopyridinesalpha amino acidsaminesazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundspolyhalopyridinestetraalkylammonium salts |
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| Substituents | carbonyl groupcarboxylic acidpolyhalopyridinealpha-amino acid or derivativescarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundalpha-amino acidorganonitrogen compoundorganopnictogen compound2-halopyridineorganic cationorganic salttetraalkylammonium saltazacyclequaternary ammonium saltheteroaromatic compoundhydroxypyridinemethylpyridinemonocarboxylic acid or derivativespyridineorganic oxygen compoundisoquinolinehydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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