| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:59 UTC |
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| Update Date | 2025-03-25 00:53:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02201274 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H11BrINO |
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| Molecular Mass | 354.9069 |
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| SMILES | COc1c(Br)cc(CCN)cc1I |
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| InChI Key | FKHSOMJAZVCPLR-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 bromidesaryl iodidesbromobenzeneshydrocarbon derivativesiodobenzenesmethoxybenzenesmonoalkylaminesorganobromidesorganoiodidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compounds |
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| Substituents | monocyclic benzene moietyetheralkyl aryl etherorganohalogen compoundiodobenzeneorganoiodideorganonitrogen compoundorganopnictogen compoundbromobenzenemethoxybenzenearyl halidearomatic homomonocyclic compoundorganic oxygen compoundanisoleorganobromidehydrocarbon derivativeprimary aliphatic aminearyl iodideorganic nitrogen compoundhalobenzenephenoxy compoundaryl bromideorganooxygen compound |
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