| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:41:15 UTC |
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| Update Date | 2025-03-21 17:58:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00018083 |
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| Frequency | 230.2 |
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| Structure | |
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| Chemical Formula | C7H5BrO2 |
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| Molecular Mass | 199.9473 |
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| SMILES | O=C(O)c1ccccc1Br |
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| InChI Key | XRXMNWGCKISMOH-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 | 2-halobenzoic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsaryl bromidesbenzoic acidsbenzoyl derivativesbromobenzeneshalobenzoic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganobromidesorganooxygen compoundsvinylogous halides |
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| Substituents | 2-halobenzoic acidcarboxylic acidbenzoylcarboxylic acid derivativeorganohalogen compoundorganic oxide1-carboxy-2-haloaromatic compoundbenzoic acidhalobenzoic acidbromobenzenevinylogous halidearyl halidearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundorganobromidehydrocarbon derivativehalobenzenearyl bromideorganooxygen compound |
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