| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:30 UTC |
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| Update Date | 2025-03-25 00:53:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02200109 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H17N3O3 |
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| Molecular Mass | 239.127 |
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| SMILES | Cc1ncc(CC(C)(N)C(=O)O)c(CN)c1O |
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| InChI Key | WNXLRKMSPYPQRA-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 | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridines |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundazacyclepolyhalopyridineheteroaromatic compoundhydroxypyridinemethylpyridineorganic oxidemonocarboxylic acid or derivativespyridineorganic oxygen compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amine2-halopyridineorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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