| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 09:53:32 UTC |
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| Update Date | 2025-03-24 20:31:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01474135 |
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| Frequency | 0.9 |
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| Structure | |
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| Chemical Formula | C6H9NO2 |
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| Molecular Mass | 127.0633 |
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| SMILES | O=C1C(O)CC2CCN12 |
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| InChI Key | MRVPXLZNMYTOEA-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 | lactams |
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| Subclass | caprolactams |
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| Direct Parent | caprolactams |
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| Geometric Descriptor | aliphatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundsazepanesazetidinescarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesn-alkylpyrrolidinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolidine-2-onessecondary alcoholstertiary carboxylic acid amides |
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| Substituents | 2-pyrrolidonecaprolactamcarbonyl groupcarboxylic acid derivativealiphatic heteropolycyclic compoundorganic oxidetertiary carboxylic acid amideorganonitrogen compoundorganopnictogen compoundpyrrolidinepyrrolidonealcoholazacyclen-alkylpyrrolidinecarboxamide groupazetidineazepaneorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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