| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:35 UTC |
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| Update Date | 2025-03-25 00:57:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02225687 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H13Br |
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| Molecular Mass | 212.0201 |
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| SMILES | CC(C)(C)c1ccccc1Br |
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| InChI Key | DSMRKVAAKZIVQL-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 | aryl bromidesbromobenzeneshydrocarbon derivativesorganobromides |
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| Substituents | phenylpropanearomatic homomonocyclic compoundorganobromidebromobenzenehydrocarbon derivativehalobenzeneorganohalogen compoundaryl bromidearyl halide |
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