| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:02:50 UTC |
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| Update Date | 2025-03-21 18:07:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00068961 |
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| Frequency | 43.9 |
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| Structure | |
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| Chemical Formula | C11H12BrNO |
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| Molecular Mass | 253.0102 |
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| SMILES | CN1C(=O)CCC1c1ccc(Br)cc1 |
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| InChI Key | OOGGAUACQOFKPL-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 derivativeslactamsn-alkylpyrrolidinesorganic oxidesorganobromidesorganonitrogen compoundsorganopnictogen compoundspyrrolespyrrolidine-2-onestertiary carboxylic acid amides |
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| Substituents | 2-pyrrolidonemonocyclic benzene moietycarbonyl grouplactamaromatic heteromonocyclic compoundcarboxylic acid derivativeorganohalogen compoundorganic oxidetertiary carboxylic acid amideorganonitrogen compoundorganopnictogen compoundpyrrolidoneazacyclen-alkylpyrrolidine2-phenylpyrrolidinebromobenzenecarboxamide grouparyl halideorganic oxygen compoundpyrroleorganobromidehydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzenearyl bromideorganooxygen compound |
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