| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:57:56 UTC |
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| Update Date | 2025-03-25 00:52:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02196466 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H13NO2 |
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| Molecular Mass | 143.0946 |
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| SMILES | CCC1(O)CN(C)CC1=O |
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| InChI Key | KPMXZGKTVYMWFJ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | acyloins |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscyclic ketoneshydrocarbon derivativesn-alkylpyrrolidinesorganic oxidesorganopnictogen compoundspyrrolidine-3-onestertiary alcoholstrialkylamines |
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| Substituents | alcoholazacycle3-pyrrolidonen-alkylpyrrolidinetertiary aliphatic aminecyclic ketoneketonetertiary alcoholorganic oxideacyloinaliphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundpyrrolidinepyrrolidoneaminetertiary amineorganoheterocyclic compound |
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