| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 02:53:44 UTC |
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| Update Date | 2025-03-21 22:00:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00470431 |
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| Frequency | 3.7 |
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| Structure | |
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| Chemical Formula | C6H10NO3+ |
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| Molecular Mass | 144.0655 |
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| SMILES | C[N+]1=CC(O)CC1C(=O)O |
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| InChI Key | YFBVOLVILNOSAT-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 | azacyclic compoundscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrroline 2-carboxylic acidssecondary alcohols |
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| Substituents | alcoholcarbonyl groupcarboxylic acidazacyclepyrroline carboxylic acid or derivativespyrroline 2-carboxylic acidorganic oxidemonocarboxylic acid or derivativespyrrolineorganic oxygen compoundpyrroline carboxylic acidaliphatic heteromonocyclic compoundalpha-amino acidorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic cationorganoheterocyclic compoundorganooxygen compound |
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