| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:49:22 UTC |
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| Update Date | 2025-03-21 18:02:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00037063 |
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| Frequency | 95.2 |
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| Structure | |
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| Chemical Formula | C8H6Br2O2 |
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| Molecular Mass | 291.8735 |
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| SMILES | CC(=O)Oc1ccc(Br)cc1Br |
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| InChI Key | RXBCSBQMWRLETO-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 | phenol esters |
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| Subclass | phenol esters |
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| Direct Parent | phenol esters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | aryl bromidesbromobenzenescarbonyl compoundscarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganobromidesphenoxy compounds |
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| Substituents | monocyclic benzene moietycarbonyl groupbromobenzenecarboxylic acid derivativeorganohalogen compoundaryl halidearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterphenol esterorganobromidehydrocarbon derivativehalobenzenephenoxy compoundaryl bromideorganooxygen compound |
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