| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:44:02 UTC |
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| Update Date | 2025-03-21 17:59:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00024362 |
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| Frequency | 160.2 |
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| Structure | |
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| Chemical Formula | C12H15NO |
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| Molecular Mass | 189.1154 |
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| SMILES | CN1C(=O)CCC1Cc1ccccc1 |
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| InChI Key | CMOABQRAKIFMRM-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | benzene and substituted derivatives |
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| Direct Parent | benzene and substituted derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativeslactamsn-alkylpyrrolidinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolidine-2-onestertiary carboxylic acid amides |
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| Substituents | 2-pyrrolidonemonocyclic benzene moietycarbonyl grouplactamaromatic heteromonocyclic compoundazacyclen-alkylpyrrolidinecarboxamide groupcarboxylic acid derivativeorganic oxideorganic oxygen compoundtertiary carboxylic acid amideorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundpyrrolidinepyrrolidoneorganoheterocyclic compoundorganooxygen compound |
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