| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:36:02 UTC |
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| Update Date | 2025-03-21 17:57:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00006210 |
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| Frequency | 836.5 |
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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)c1ccc(Br)cc1 |
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| InChI Key | TUXYZHVUPGXXQG-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 | halobenzoic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 4-halobenzoic acidsaryl bromidesbenzoic acidsbenzoyl derivativesbromobenzenescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganobromidesorganooxygen compounds |
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| Substituents | halobenzoic acidcarboxylic acid4-halobenzoic acidbenzoylbromobenzenecarboxylic acid derivativeorganohalogen compoundaryl halide4-halobenzoic acid or derivativesaromatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganobromidehydrocarbon derivativehalobenzenebenzoic acidaryl bromideorganooxygen compound |
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