| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 16:46:06 UTC |
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| Update Date | 2025-03-25 01:34:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02446489 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H9NO2 |
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| Molecular Mass | 139.0633 |
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| SMILES | CC(=O)C1C(=O)C=CN1C |
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| InChI Key | UGYONZHOESNDJV-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 | beta-diketones |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | alpha-amino ketonesazacyclic compoundscyclic ketonesenamineshydrocarbon derivativesorganic oxidesorganopnictogen compoundspyrrolinestrialkylaminesvinylogous amides |
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| Substituents | vinylogous amideazacycletertiary aliphatic aminecyclic ketoneketoneorganic oxidepyrrolinealpha-aminoketonealiphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundaminetertiary amineorganoheterocyclic compound1,3-diketoneenamine |
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