| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:05 UTC |
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| Update Date | 2025-03-25 00:49:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02176402 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H14BrNO2 |
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| Molecular Mass | 271.0208 |
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| SMILES | NCCC(CC(=O)O)c1ccc(Br)cc1 |
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| InChI Key | FRFVNCFGJPAYBS-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 | delta amino acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | aryl bromidesbromobenzenescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganobromidesorganonitrogen compoundsorganopnictogen compoundsphenylpropanoic acids |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidbromobenzeneorganohalogen compoundaryl halidearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundorganobromideorganopnictogen compounddelta amino acid or derivativeshydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundhalobenzenearyl bromideorganooxygen compound |
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