| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:50 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 | DMID02180424 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H19N2O3+ |
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| Molecular Mass | 275.139 |
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| SMILES | COc1cc2ccccc2c[n+]1CCCC(N)C(=O)O |
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| InChI Key | NQRVPWHGIMQSDK-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-halopyridinesalkyl aryl ethersalpha amino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesmonoalkylaminesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridines |
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| Substituents | carbonyl groupethercarboxylic acidpolyhalopyridinealpha-amino acid or derivativesalkyl aryl ethercarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compound2-halopyridineorganic cationazacycleheteroaromatic compoundhydroxypyridinemethylpyridinemonocarboxylic acid or derivativespyridineorganic oxygen compoundisoquinolinehydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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