| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:28 UTC |
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| Update Date | 2025-03-25 00:53:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02202320 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H12NO4+ |
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| Molecular Mass | 186.0761 |
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| SMILES | C[N+]1(C)C(C(=O)O)=CCC1C(=O)O |
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| InChI Key | DBSZXMYFOMVCIK-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 | aliphatic heteromonocyclic compounds |
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| Alternative Parents | aminesazacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundspyrroline 2-carboxylic acidsquaternary ammonium salts |
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| Substituents | carbonyl groupcarboxylic acidorganic oxidealiphatic heteromonocyclic compoundalpha-amino acidorganonitrogen compoundorganopnictogen compoundorganic cationorganic saltorganoheterocyclic compoundazacyclequaternary ammonium saltpyrroline carboxylic acid or derivativespyrroline 2-carboxylic acidorganic oxygen compoundpyrrolinepyrroline carboxylic aciddicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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