| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:27:02 UTC |
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| Update Date | 2025-03-21 18:39:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00127110 |
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| Frequency | 20.1 |
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| Structure | |
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| Chemical Formula | C7H9NO3 |
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| Molecular Mass | 155.0582 |
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| SMILES | CC(=O)N1CC=CC1C(=O)O |
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| InChI Key | VBHKUSGNBBQVID-UHFFFAOYSA-N |
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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 | acetamidesazacyclic compoundscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrroline 2-carboxylic acidstertiary carboxylic acid amides |
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| Substituents | carbonyl groupcarboxylic acidazacyclepyrroline carboxylic acid or derivativescarboxamide grouppyrroline 2-carboxylic acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundpyrrolinepyrroline carboxylic acidtertiary carboxylic acid amidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundacetamideorganooxygen compound |
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