| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:51:43 UTC |
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| Update Date | 2025-03-21 18:03:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00042633 |
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| Frequency | 80.1 |
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| Structure | |
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| Chemical Formula | C13H9Br3O2 |
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| Molecular Mass | 433.8153 |
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| SMILES | COc1cc(Br)ccc1Oc1ccc(Br)cc1Br |
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| InChI Key | IKWXAFNDTMCBJV-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 | alkyl aryl ethersanisolesaryl bromidesbromobenzenesdiarylethershydrocarbon derivativesmethoxybenzenesorganobromidesphenoxy compounds |
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| Substituents | diaryl etherphenol etheretherbromodiphenyl etherbromobenzenealkyl aryl etherorganohalogen compoundmethoxybenzenearyl halidearomatic homomonocyclic compoundorganic oxygen compoundanisoleorganobromidehydrocarbon derivativehalobenzenephenoxy compoundaryl bromideorganooxygen compound |
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