| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:18:35 UTC |
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| Update Date | 2025-03-21 18:35:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00106881 |
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| Frequency | 25.2 |
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| Structure | |
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| Chemical Formula | C9H7BrO3 |
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| Molecular Mass | 241.9579 |
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| SMILES | O=C(O)C(=O)Cc1ccc(Br)cc1 |
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| InChI Key | YTWLYEKOUUEZEF-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 | phenylpyruvic acid derivatives |
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| Direct Parent | phenylpyruvic acid derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha-hydroxy ketonesalpha-keto acids and derivativesaryl bromidesbromobenzenescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganobromidesphenylpropanoic acids |
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| Substituents | carbonyl groupcarboxylic acidphenylpyruvate3-phenylpropanoic-acidbromobenzenealpha-hydroxy ketonecarboxylic acid derivativeorganohalogen compoundaryl halideketonearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundketo acidalpha-keto acidorganobromidehydrocarbon derivativehalobenzenearyl bromideorganooxygen compound |
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