| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:10:47 UTC |
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| Update Date | 2025-03-21 18:31:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00087877 |
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| Frequency | 32.3 |
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| Structure | |
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| Chemical Formula | C8H7BrO3 |
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| Molecular Mass | 229.9579 |
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| SMILES | O=C(O)Cc1cc(Br)ccc1O |
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| InChI Key | SKGHTMGJWQZJEI-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 | phenylacetic acids |
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| Direct Parent | 2(hydroxyphenyl)acetic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsaryl bromidesbromobenzenescarbonyl compoundscarboxylic acidshalophenolshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganobromidesp-bromophenols |
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| Substituents | carbonyl groupcarboxylic acid4-bromophenol1-hydroxy-2-unsubstituted benzenoidbromobenzenecarboxylic acid derivativeorganohalogen compoundaryl halidearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compound4-halophenolorganobromidephenolhydrocarbon derivativehalobenzenearyl bromideorganooxygen compound2(hydroxyphenyl)acetic acid |
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