| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:20 UTC |
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| Update Date | 2025-03-25 00:57:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02222951 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H19N2O2+ |
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| Molecular Mass | 295.1441 |
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| SMILES | NC(CCC[n+]1ccc2c(ccc3ccccc32)c1)C(=O)O |
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| InChI Key | KVWJCTBTFJQFDV-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 | alpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonoalkylaminesmonocarboxylic acids and derivativesnaphthalenesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridines |
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| Substituents | carbonyl groupcarboxylic acidpolyhalopyridinealpha-amino acid or derivativescarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic cationazacycleheteroaromatic compoundhydroxypyridinemonocarboxylic acid or derivativespyridinenaphthaleneorganic oxygen compoundisoquinolinehydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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