| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 09:33:29 UTC |
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| Update Date | 2025-03-24 20:22:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01427592 |
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| Frequency | 0.9 |
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| Structure | |
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| Chemical Formula | C6H9NO |
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| Molecular Mass | 111.0684 |
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| SMILES | O=C1CCN2CCC12 |
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| InChI Key | VZLLOCOUPYMFIV-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 | azepanes |
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| Subclass | azepanes |
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| Direct Parent | azepanes |
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| Geometric Descriptor | aliphatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundsazetidineshydrocarbon derivativesketonesn-alkylpyrrolidinesorganic oxidesorganopnictogen compoundspyrrolidine-3-onestrialkylamines |
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| Substituents | carbonyl groupazacycle3-pyrrolidonen-alkylpyrrolidinetertiary aliphatic amineketoneazetidinealiphatic heteropolycyclic compoundorganic oxideazepaneorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundpyrrolidinepyrrolidoneaminetertiary amineorganooxygen compound |
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