| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:01:53 UTC |
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| Update Date | 2025-03-25 00:54:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02205551 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H10BrNO |
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| Molecular Mass | 214.9946 |
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| SMILES | NCCc1ccc(O)cc1Br |
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| InChI Key | BIQYJCDQXSQCOP-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 | phenols |
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| Subclass | halophenols |
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| Direct Parent | halophenols |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsaryl bromidesbromobenzeneshydrocarbon derivativesm-bromophenolsmonoalkylaminesorganobromidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compounds |
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| Substituents | 3-halophenolmonocyclic benzene moiety1-hydroxy-2-unsubstituted benzenoidbromobenzeneorganohalogen compoundaryl halidearomatic homomonocyclic compoundorganic oxygen compoundorganonitrogen compoundorganobromideorganopnictogen compound3-bromophenolhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundhalobenzenearyl bromideorganooxygen compound |
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