| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:14:46 UTC |
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| Update Date | 2025-03-21 18:33:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00097518 |
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| Frequency | 28.3 |
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| Structure | |
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| Chemical Formula | C9H8BrNO3 |
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| Molecular Mass | 256.9688 |
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| SMILES | O=C(O)CNC(=O)c1cccc(Br)c1 |
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| InChI Key | SPMZGXLKQBBVKH-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 | acyl glycines |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 3-halobenzoic acids and derivativesalpha amino acidsaryl bromidesbenzoyl derivativesbromobenzenescarbonyl compoundscarboxylic acidshippuric acids and derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganobromidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid3-halobenzoic acid or derivativesbenzoylorganohalogen compoundbenzamideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundhippuric acid or derivativesbromobenzenebenzoic acid or derivativeshalobenzoic acid or derivativescarboxamide groupn-acylglycinearyl halidearomatic homomonocyclic compoundsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundorganobromidehydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzenearyl bromideorganooxygen compound |
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