| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:58:45 UTC |
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| Update Date | 2025-03-25 00:53:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02198365 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H14NO2+ |
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| Molecular Mass | 204.1019 |
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| SMILES | C[N+]1(C)Cc2ccccc2C=C1C(=O)O |
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| InChI Key | YRGWAVRGFLICLX-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 | aralkylaminesazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundsquaternary ammonium salts |
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| Substituents | carbonyl groupcarboxylic acidazacyclequaternary ammonium saltaralkylamineorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaromatic heteropolycyclic compoundalpha-amino acidorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganic cationorganic saltamineorganoheterocyclic compoundorganooxygen compound |
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