| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:57:07 UTC |
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| Update Date | 2025-03-21 18:05:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00055316 |
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| Frequency | 57.9 |
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| Structure | |
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| Chemical Formula | C10H13BrO |
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| Molecular Mass | 228.015 |
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| SMILES | CC(C)(C)c1cc(Br)ccc1O |
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| InChI Key | IKMJSWBFODAWTC-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 | phenylpropanes |
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| Direct Parent | phenylpropanes |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsaryl bromidesbromobenzeneshalophenolshydrocarbon derivativesorganobromidesorganooxygen compoundsp-bromophenols |
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| Substituents | 4-bromophenol1-hydroxy-2-unsubstituted benzenoidbromobenzeneorganohalogen compoundaryl halidephenylpropanearomatic homomonocyclic compoundorganic oxygen compound4-halophenolorganobromidephenolhydrocarbon derivativehalobenzenearyl bromideorganooxygen compound |
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