| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:58:20 UTC |
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| Update Date | 2025-03-21 18:05:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00058219 |
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| Frequency | 54.3 |
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| Structure | |
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| Chemical Formula | C11H12BrNO3 |
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| Molecular Mass | 285.0001 |
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| SMILES | CC(=O)NC(Cc1ccc(Br)cc1)C(=O)O |
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| InChI Key | LDCUXIARELPUCD-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 | acetamidesalpha amino acidsamphetamines and derivativesaryl bromidesbromobenzenescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic oxidesorganobromidesorganonitrogen compoundsorganopnictogen compoundsphenylpropanoic acidssecondary carboxylic acid amides |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidorganohalogen compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundacetamideamphetamine or derivativesn-acyl-alpha amino acid or derivativesn-acyl-alpha-amino acidbromobenzenecarboxamide grouparyl halidearomatic homomonocyclic compoundsecondary carboxylic acid amidemonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundorganobromidehydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzenearyl bromideorganooxygen compound |
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