| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:21:21 UTC |
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| Update Date | 2025-03-21 18:37:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00113612 |
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| Frequency | 23.3 |
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| Structure | |
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| Chemical Formula | C7H6BrNO |
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| Molecular Mass | 198.9633 |
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| SMILES | NC(=O)c1cccc(Br)c1 |
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| InChI Key | ODJFDWIECLJWSR-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | benzoic acids and derivatives |
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| Direct Parent | 3-halobenzoic acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | aryl bromidesbenzamidesbenzoyl derivativesbromobenzenescarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganobromidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsprimary carboxylic acid amides |
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| Substituents | primary carboxylic acid amide3-halobenzoic acid or derivativesbenzoylcarboxylic acid derivativeorganohalogen compoundbenzamideorganic oxideorganonitrogen compoundorganopnictogen compoundbromobenzenecarboxamide grouparyl halidearomatic homomonocyclic compoundorganic oxygen compoundorganobromidehydrocarbon derivativeorganic nitrogen compoundhalobenzenearyl bromideorganooxygen compound |
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