| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:21:05 UTC |
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| Update Date | 2025-03-25 00:39:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02112071 |
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| Frequency | 0.6 |
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| Structure | |
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| Chemical Formula | C6H7NO3 |
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| Molecular Mass | 141.0426 |
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| SMILES | COC(=O)C1CC(=O)C=N1 |
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| InChI Key | NKJFREZRLKSJAV-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 acid esters |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsazacyclic compoundscyclic ketoneshydrocarbon derivativesiminesmethyl estersmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundspyrroline 2-carboxylic acids |
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| Substituents | carbonyl groupiminecyclic ketonepropargyl-type 1,3-dipolar organic compoundketoneorganic oxidemethyl esteraliphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundalpha-amino acid esterazacyclepyrroline carboxylic acid or derivativesorganic 1,3-dipolar compoundpyrroline 2-carboxylic acidmonocarboxylic acid or derivativespyrrolineorganic oxygen compoundpyrroline carboxylic acidcarboxylic acid esterhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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