| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:16:45 UTC |
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| Update Date | 2025-03-21 18:34:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00102386 |
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| Frequency | 26.6 |
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| Structure | |
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| Chemical Formula | C8H10NO2+ |
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| Molecular Mass | 152.0706 |
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| SMILES | CC(C(=O)O)[n+]1ccccc1 |
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| InChI Key | RSXKCTIUWRFXRA-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 and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundazacycleheteroaromatic compoundhydroxypyridinemethylpyridinealpha-amino acid or derivativesorganic oxidemonocarboxylic acid or derivativespyridineorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic cationorganoheterocyclic compoundorganooxygen compound |
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