| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:02:15 UTC |
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| Update Date | 2025-03-21 18:07:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00067532 |
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| Frequency | 45.0 |
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| Structure | |
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| Chemical Formula | C7H5Br3O |
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| Molecular Mass | 341.7891 |
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| SMILES | COc1c(Br)cc(Br)cc1Br |
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| InChI Key | YXTRCOAFNXQTKL-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 ethers |
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| Subclass | anisoles |
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| Direct Parent | anisoles |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersaryl bromidesbromobenzeneshydrocarbon derivativesmethoxybenzenesorganobromidesphenoxy compounds |
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| Substituents | monocyclic benzene moietyetherbromobenzenealkyl aryl etherorganohalogen compoundmethoxybenzenearyl halidearomatic homomonocyclic compoundorganic oxygen compoundanisoleorganobromidehydrocarbon derivativehalobenzenephenoxy compoundaryl bromideorganooxygen compound |
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