| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:44:17 UTC |
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| Update Date | 2025-03-25 00:47:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02165409 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H11BrO |
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| Molecular Mass | 237.9993 |
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| SMILES | CCC(=O)C(Br)=Cc1ccccc1 |
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| InChI Key | GWMIHJMBGZIMFC-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | phenylpropanoids and polyketides |
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| Class | cinnamic acids and derivatives |
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| Subclass | cinnamic acids and derivatives |
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| Direct Parent | cinnamic acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | acryloyl compoundsalpha-branched alpha,beta-unsaturated ketonesalpha-haloketonesbenzene and substituted derivativesbromoalkenesenoneshydrocarbon derivativesorganic oxidesorganobromidesvinyl bromides |
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| Substituents | alpha-branched alpha,beta-unsaturated-ketonemonocyclic benzene moietycarbonyl groupalpha,beta-unsaturated ketoneorganohalogen compoundketonearomatic homomonocyclic compoundcinnamic acid or derivativesorganic oxideorganic oxygen compoundvinyl bromidebromoalkenevinyl halidehaloalkeneorganobromidealpha-haloketonehydrocarbon derivativebenzenoidacryloyl-grouporganooxygen compoundenone |
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