| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:58 UTC |
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| Update Date | 2025-03-25 00:50:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02180741 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H13N2O3+ |
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| Molecular Mass | 209.0921 |
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| SMILES | C[n+]1ccc(C(=O)CC(N)C(=O)O)cc1 |
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| InChI Key | PYGKTVTVJKTMCQ-UHFFFAOYSA-O |
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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 | aryl alkyl ketonesazacyclic compoundscarboxylic acidsgamma-keto acids and derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonoalkylaminesmonocarboxylic acids and derivativesn-methylpyridinium compoundsorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | carbonyl groupcarboxylic acidaryl alkyl ketonen-methylpyridiniumaromatic heteromonocyclic compoundketoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic cationorganoheterocyclic compoundazacycleheteroaromatic compoundhydroxypyridinegamma-keto acidmonocarboxylic acid or derivativespyridineorganic oxygen compoundketo acidhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundaryl ketone |
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