| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:21:57 UTC |
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| Update Date | 2025-03-21 18:37:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00115087 |
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| Frequency | 22.9 |
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| Structure | |
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| Chemical Formula | C11H11NO2 |
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| Molecular Mass | 189.079 |
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| SMILES | O=C1CCC(=O)N1Cc1ccccc1 |
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| InChI Key | IONNJVQITCVNHK-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 derivativesdicarboximideshydrocarbon derivativesn-alkylpyrrolidinesn-substituted carboxylic acid imidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolidine-2-ones |
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| Substituents | 2-pyrrolidonemonocyclic benzene moietycarbonyl grouparomatic heteromonocyclic compoundazacyclen-alkylpyrrolidinecarboxylic acid derivativecarboxylic acid imideorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativedicarboximideorganic nitrogen compoundpyrrolidinecarboxylic acid imide, n-substitutedpyrrolidoneorganoheterocyclic compoundorganooxygen compound |
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