| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:04:57 UTC |
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| Update Date | 2025-03-21 18:28:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00074055 |
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| Frequency | 40.1 |
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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 | NC(CCCC[n+]1ccc2ccccc2c1)C(=O)O |
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| InChI Key | KUTNNWXSKGRGLG-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 acidsamino fatty acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativeshydroxypyridinesmedium-chain fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridines |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidheterocyclic fatty acidpolyhalopyridinefatty acidalpha-amino acid or derivativescarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidorganic cationazacycleheteroaromatic compoundhydroxypyridineamino fatty acidmonocarboxylic acid or derivativespyridineorganic oxygen compoundisoquinolinehydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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