| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:47:18 UTC |
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| Update Date | 2025-03-25 00:49:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02172286 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H12N2O4 |
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| Molecular Mass | 212.0797 |
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| SMILES | CCC1=CC(C(=O)C(N)C(=O)O)N=C1O |
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| InChI Key | ZGZMIIJLWSEPHS-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 | 1,3-dicarbonyl compoundsazacyclic compoundsbeta-hydroxy ketonesbeta-keto acids and derivativescarboxylic acidscyclic carboximidic acidshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | beta-hydroxy ketonecarbonyl groupcarboxylic acidbeta-keto acidpropargyl-type 1,3-dipolar organic compoundketoneorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazacycleorganic 1,3-dipolar compoundmonocarboxylic acid or derivativesorganic oxygen compoundketo acidhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compound1,3-dicarbonyl compoundcyclic carboximidic acidorganooxygen compound |
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