| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:27:31 UTC |
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| Update Date | 2025-03-21 18:40:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00128293 |
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| Frequency | 19.9 |
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| Structure | |
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| Chemical Formula | C7H4Br2O2 |
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| Molecular Mass | 277.8578 |
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| SMILES | O=C(O)c1ccc(Br)c(Br)c1 |
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| InChI Key | DHMPDNLGFIBQCK-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 | 4-halobenzoic acidsaryl bromidesbenzoic acidsbenzoyl derivativesbromobenzenescarboxylic acidshalobenzoic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganobromidesorganooxygen compounds |
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| Substituents | carboxylic acidbenzoylcarboxylic acid derivativeorganohalogen compoundorganic oxide3-halobenzoic acidbenzoic acidhalobenzoic acid4-halobenzoic acidbromobenzenearyl halide4-halobenzoic acid or derivativesaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundorganobromidehydrocarbon derivativehalobenzenearyl bromideorganooxygen compound |
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