| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:58:31 UTC |
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| Update Date | 2025-03-21 18:05:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00058656 |
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| Frequency | 53.8 |
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| Structure | |
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| Chemical Formula | C14H14BrNO2 |
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| Molecular Mass | 307.0208 |
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| SMILES | NCCc1ccc(Oc2ccc(O)cc2)c(Br)c1 |
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| InChI Key | ZSZIDDYCFWMKDQ-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 | 1-hydroxy-2-unsubstituted benzenoidsaryl bromidesbromobenzenesdiarylethershydrocarbon derivativesmonoalkylaminesorganobromidesorganonitrogen compoundsorganopnictogen compoundsphenol ethersphenoxy compounds |
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| Substituents | diaryl etherphenol etheretherbromodiphenyl ether1-hydroxy-2-unsubstituted benzenoidorganohalogen compoundorganonitrogen compoundorganopnictogen compoundbromobenzenearyl halidearomatic homomonocyclic compoundorganic oxygen compoundorganobromidephenolhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundhalobenzenephenoxy compoundaryl bromideorganooxygen compound |
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