| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 12:44:25 UTC |
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| Update Date | 2025-03-24 21:45:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01882804 |
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| Frequency | 0.6 |
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| Structure | |
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| Chemical Formula | C5H7NO2 |
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| Molecular Mass | 113.0477 |
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| SMILES | CC1(O)C=CN=C1O |
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| InChI Key | JAXAEIQARSTOBS-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 | alcohols and polyols |
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| Direct Parent | tertiary alcohols |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscyclic carboximidic acidshydrocarbon derivativesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | azacycleorganic 1,3-dipolar compoundpropargyl-type 1,3-dipolar organic compoundtertiary alcoholaliphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundcyclic carboximidic acidorganoheterocyclic compound |
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