| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:47 UTC |
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| Update Date | 2025-03-25 00:56:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02219332 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H14Br3NO4 |
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| Molecular Mass | 520.8473 |
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| SMILES | COc1cc(CC(N)C(=O)O)cc(Br)c1Oc1ccc(Br)cc1Br |
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| InChI Key | BZMHJVHRGJQAQM-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 | alkyl aryl ethersalpha amino acidsanisolesaryl bromidesbromobenzenesbromodiphenyl etherscarbonyl compoundscarboxylic acidsdiarylethershydrocarbon derivativesmethoxybenzenesmethoxylated amphetaminesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganobromidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundsphenylpropanoic acids |
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| Substituents | diaryl etherphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acid3-phenylpropanoic-acidbromodiphenyl etheralkyl aryl etherorganohalogen compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivativesmethoxylated amphetaminebromobenzenemethoxybenzenearyl halidearomatic homomonocyclic compoundmonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundanisoleorganobromidehydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundhalobenzenephenoxy compoundaryl bromidediphenyletherorganooxygen compound |
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