| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:01:45 UTC |
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| Update Date | 2025-03-21 18:06:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00066344 |
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| Frequency | 46.0 |
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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)c1ccc(Br)cc1 |
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| InChI Key | ZRWNRAJCPNLYAK-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 | 4-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 amidebenzoylcarboxylic acid derivativeorganohalogen compoundbenzamideorganic oxideorganonitrogen compoundorganopnictogen compoundbromobenzenecarboxamide grouparyl halide4-halobenzoic acid or derivativesaromatic homomonocyclic compoundorganic oxygen compoundorganobromidehydrocarbon derivativeorganic nitrogen compoundhalobenzenearyl bromideorganooxygen compound |
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