| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:11:48 UTC |
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| Update Date | 2025-03-21 18:32:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00090291 |
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| Frequency | 31.2 |
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| Structure | |
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| Chemical Formula | C7H8NO2+ |
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| Molecular Mass | 138.055 |
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| SMILES | O=C(O)C[n+]1ccccc1 |
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| InChI Key | GJJPLKJBULCRQI-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 derivativeshydroxypyridinesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundazacycleheteroaromatic compoundhydroxypyridinealpha-amino acid or derivativesorganic oxidemonocarboxylic acid or derivativespyridineorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic cationorganoheterocyclic compoundorganooxygen compound |
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