| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:06:31 UTC |
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| Update Date | 2025-03-25 00:56:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02216397 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H17NO3 |
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| Molecular Mass | 199.1208 |
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| SMILES | CCC(O)CC=CC(O)=NCC(C)=O |
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| InChI Key | TZHXGGKEYDGMAI-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 | ketones |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | carboximidic acidshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssecondary alcohols |
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| Substituents | alcoholaliphatic acyclic compoundcarboximidic acidorganic 1,3-dipolar compoundpropargyl-type 1,3-dipolar organic compoundketoneorganic oxideorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compound |
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