| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:27:33 UTC |
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| Update Date | 2025-03-21 18:40:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00128399 |
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| Frequency | 19.9 |
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| Structure | |
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| Chemical Formula | C11H16BrNO |
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| Molecular Mass | 257.0415 |
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| SMILES | CC(C(O)c1ccc(Br)cc1)N(C)C |
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| InChI Key | IIUDJFKSTWLAIW-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 | 1,2-aminoalcoholsaromatic alcoholsaryl bromidesbromobenzeneshydrocarbon derivativesorganobromidesorganopnictogen compoundssecondary alcoholstrialkylamines |
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| Substituents | aromatic alcoholalcohol1,2-aminoalcoholtertiary aliphatic aminebromobenzeneorganohalogen compoundaryl halidephenylpropanearomatic homomonocyclic compoundorganic oxygen compoundorganonitrogen compoundsecondary alcoholorganobromideorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundhalobenzenearyl bromideaminetertiary amineorganooxygen compound |
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