| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:00 UTC |
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| Update Date | 2025-03-25 00:56:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02219872 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H14NO2+ |
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| Molecular Mass | 192.1019 |
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| SMILES | C[N+]1(CC(=O)O)CCc2ccccc21 |
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| InChI Key | NVMDTAULIDCVLZ-UHFFFAOYSA-O |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | alpha amino acids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | aminesazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidshydrocarbon derivativesindolesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundsquaternary ammonium salts |
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| Substituents | carbonyl groupcarboxylic acidazacycleindolequaternary ammonium saltindole or derivativesorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaromatic heteropolycyclic compoundalpha-amino acidorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganic cationorganic saltamineorganoheterocyclic compoundorganooxygen compound |
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