| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:25 UTC |
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| Update Date | 2025-03-25 00:57:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02225342 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H19NO3 |
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| Molecular Mass | 261.1365 |
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| SMILES | CC(C(=O)OCCN1CCCC1=O)c1ccccc1 |
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| InChI Key | ODKPBLYXILWZON-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 acid estershydrocarbon derivativeslactamsmonocarboxylic acids and derivativesn-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 oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid estertertiary carboxylic acid amideorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundpyrrolidinepyrrolidoneorganoheterocyclic compoundorganooxygen compound |
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