| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:11:31 UTC |
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| Update Date | 2025-03-21 18:32:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00089602 |
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| Frequency | 31.5 |
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| Structure | |
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| Chemical Formula | C10H10BrNO |
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| Molecular Mass | 238.9946 |
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| SMILES | O=C1CCC(c2ccc(Br)cc2)N1 |
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| InChI Key | PFJCJXIUAVSTJB-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | pyrrolidines |
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| Subclass | phenylpyrrolidines |
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| Direct Parent | phenylpyrrolidines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | aryl bromidesazacyclic compoundsbromobenzenescarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativeslactamsorganic oxidesorganobromidesorganonitrogen compoundsorganopnictogen compoundspyrrolespyrrolidine-2-onessecondary carboxylic acid amides |
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| Substituents | 2-pyrrolidonemonocyclic benzene moietycarbonyl grouplactamaromatic heteromonocyclic compoundcarboxylic acid derivativeorganohalogen compoundorganic oxideorganonitrogen compoundorganopnictogen compoundpyrrolidoneazacycle2-phenylpyrrolidinebromobenzenecarboxamide grouparyl halidesecondary carboxylic acid amideorganic oxygen compoundpyrroleorganobromidehydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzenearyl bromideorganooxygen compound |
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