| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:09 UTC |
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| Update Date | 2025-03-25 00:46:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02156164 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H7BrO2 |
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| Molecular Mass | 213.9629 |
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| SMILES | Cc1cc(Br)cc(C(=O)O)c1 |
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| InChI Key | NWOMVQDBDBUANF-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 |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | aryl bromidesbenzoic acidsbenzoyl derivativesbromobenzenescarboxylic acidshalobenzoic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganobromidesorganooxygen compoundstoluenes |
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| Substituents | carboxylic acidbenzoylcarboxylic acid derivativeorganohalogen compoundorganic oxide3-halobenzoic acidbenzoic acidhalobenzoic acidbromobenzenearyl halidearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundorganobromidehydrocarbon derivativehalobenzenearyl bromidetolueneorganooxygen compound |
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