| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 13:47:31 UTC |
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| Update Date | 2025-03-25 00:27:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02032423 |
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| Frequency | 0.6 |
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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)C1NC(C)=CC1=O |
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| InChI Key | SCQQTUILGNAIDM-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 | azacyclic compoundscyclic ketonesdialkylamineshydrocarbon derivativesorganic oxidesorganopnictogen compoundspyrrolinesvinylogous amides |
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| Substituents | vinylogous amidesecondary aliphatic amineazacyclecyclic ketonesecondary amineketoneorganic oxidepyrrolinealiphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compound1,3-diketoneamine |
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