| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:18:53 UTC |
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| Update Date | 2025-03-21 18:35:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00107623 |
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| Frequency | 25.0 |
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| Structure | |
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| Chemical Formula | C9H10BrNO4 |
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| Molecular Mass | 274.9793 |
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| SMILES | NC(Cc1cc(O)c(O)c(Br)c1)C(=O)O |
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| InChI Key | OMWPFWUFNOXTBC-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 | tyrosine and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalpha amino acidsamphetamines and derivativesaryl bromidesbromobenzenescarbonyl compoundscarboxylic acidshalophenolshydrocarbon derivativesm-bromophenolsmonoalkylaminesmonocarboxylic acids and derivativeso-bromophenolsorganic oxidesorganobromidesorganonitrogen compoundsorganopnictogen compoundsphenylalanine and derivativesphenylpropanoic acids |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acid1-hydroxy-2-unsubstituted benzenoidorganohalogen compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compound3-bromophenol2-bromophenolamphetamine or derivatives3-halophenoltyrosine or derivativesbromobenzene1-hydroxy-4-unsubstituted benzenoidaryl halidearomatic homomonocyclic compound2-halophenolmonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundorganobromidephenolhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundhalobenzenearyl bromideorganooxygen compound |
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