| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:57:58 UTC |
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| Update Date | 2025-03-25 00:52:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02196541 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H14BrNO |
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| Molecular Mass | 279.0259 |
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| SMILES | CCC1=C(C)C(=O)NC1c1ccc(Br)cc1 |
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| InChI Key | PAFKAUXHKOGXFO-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 | pyrrolines |
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| Subclass | phenylpyrrolines |
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| Direct Parent | phenylpyrrolines |
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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 compoundspyrrolessecondary carboxylic acid amides |
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| Substituents | monocyclic benzene moietycarbonyl grouplactamaromatic heteromonocyclic compoundcarboxylic acid derivativeorganohalogen compoundorganic oxideorganonitrogen compoundorganopnictogen compoundazacyclebromobenzene2-phenylpyrrolinecarboxamide grouparyl halidesecondary carboxylic acid amideorganic oxygen compoundpyrroleorganobromidehydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzenearyl bromideorganooxygen compound |
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