| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:39:08 UTC |
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| Update Date | 2025-03-21 17:58:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00013494 |
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| Frequency | 331.3 |
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| Structure | |
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| Chemical Formula | C9H13N2O2+ |
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| Molecular Mass | 181.0972 |
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| SMILES | C[n+]1cccc(CC(N)C(=O)O)c1 |
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| InChI Key | KGWLTLVMGZDZJW-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 | azacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonoalkylaminesmonocarboxylic acids and derivativesn-methylpyridinium compoundsorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | carbonyl groupcarboxylic acidn-methylpyridiniumaromatic heteromonocyclic compoundazacycleheteroaromatic compoundhydroxypyridineorganic oxidemonocarboxylic acid or derivativespyridineorganic oxygen compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganic cationorganoheterocyclic compoundorganooxygen compound |
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