| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:49:25 UTC |
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| Update Date | 2025-03-21 18:02:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00037162 |
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| Frequency | 94.9 |
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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 | O=C(O)Cc1cccc(Br)c1 |
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| InChI Key | KYNNBXCGXUOREX-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 | halobenzenes |
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| Direct Parent | bromobenzenes |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | aryl bromidescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganobromides |
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| Substituents | carbonyl groupcarboxylic acidbromobenzenecarboxylic acid derivativeorganohalogen compoundaryl halidearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganobromidehydrocarbon derivativearyl bromideorganooxygen compound |
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