| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:02 UTC |
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| Update Date | 2025-03-25 00:56:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02217595 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H9BrO3 |
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| Molecular Mass | 267.9735 |
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| SMILES | O=C1CCC(C(=O)c2ccc(Br)cc2)O1 |
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| InChI Key | ZVNRYEBDVYQMOA-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | alkyl-phenylketones |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha-acyloxy ketonesaryl alkyl ketonesaryl bromidesbenzoyl derivativesbromobenzenescarboxylic acid estersgamma butyrolactoneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganobromidesoxacyclic compoundstetrahydrofurans |
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| Substituents | monocyclic benzene moietyaryl alkyl ketonealpha-acyloxy ketonearomatic heteromonocyclic compoundbenzoylcarboxylic acid derivativeorganohalogen compoundlactoneorganic oxideorganoheterocyclic compoundtetrahydrofuranbromobenzenegamma butyrolactonearyl halideoxacyclemonocarboxylic acid or derivativescarboxylic acid esterorganobromidehydrocarbon derivativebenzenoidhalobenzenearyl bromidealkyl-phenylketone |
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