| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:28 UTC |
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| Update Date | 2025-03-25 00:57:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02225434 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H9Br3O3 |
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| Molecular Mass | 461.8102 |
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| SMILES | CC(=O)Oc1ccc(Oc2ccc(Br)cc2Br)cc1Br |
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| InChI Key | YLLQXCMZWHEDJI-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 | diphenylethers |
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| Direct Parent | bromodiphenyl ethers |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | aryl bromidesbromobenzenescarbonyl compoundscarboxylic acid estersdiarylethershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganobromidesphenol estersphenol ethersphenoxy compounds |
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| Substituents | diaryl etherphenol ethercarbonyl groupetherbromodiphenyl ethercarboxylic acid derivativeorganohalogen compoundorganic oxidebromobenzenearyl halidearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterphenol esterorganobromidehydrocarbon derivativehalobenzenephenoxy compoundaryl bromideorganooxygen compound |
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