| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:23:04 UTC |
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| Update Date | 2025-03-21 18:37:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00117807 |
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| Frequency | 22.2 |
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| Structure | |
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| Chemical Formula | C9H10BrNO3 |
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| Molecular Mass | 258.9844 |
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| SMILES | NC(Cc1cc(Br)ccc1O)C(=O)O |
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| InChI Key | NUHLZVVMBSILOY-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 | phenylalanine and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalpha amino acidsamphetamines and derivativesaryl bromidesbromobenzenescarbonyl compoundscarboxylic acidshalophenolshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganobromidesorganonitrogen compoundsorganopnictogen compoundsp-bromophenolsphenylpropanoic acids |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acid1-hydroxy-2-unsubstituted benzenoidorganohalogen compoundorganic oxide4-halophenolorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivatives4-bromophenolbromobenzenearyl halidearomatic homomonocyclic compoundmonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundorganobromidephenolhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundhalobenzenearyl bromideorganooxygen compound |
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