| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:47:04 UTC |
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| Update Date | 2025-03-25 00:49:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02171760 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H14N2O3 |
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| Molecular Mass | 222.1004 |
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| SMILES | CCc1ncccc1C(=O)CC(N)C(=O)O |
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| InChI Key | VGQUCXYNGRCXSJ-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-halopyridinesaryl alkyl ketonesazacyclic compoundscarboxylic acidsgamma-keto acids and derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridines |
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| Substituents | carbonyl groupcarboxylic acidaryl alkyl ketonearomatic heteromonocyclic compoundpolyhalopyridineketoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compound2-halopyridineorganoheterocyclic compoundazacycleheteroaromatic compoundhydroxypyridinemethylpyridinegamma-keto acidmonocarboxylic acid or derivativespyridineorganic oxygen compoundketo acidhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundaryl ketone |
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