| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:35:22 UTC |
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| Update Date | 2025-03-21 18:46:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00146499 |
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| Frequency | 26.6 |
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| Structure | |
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| Chemical Formula | C11H11NO2 |
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| Molecular Mass | 189.079 |
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| SMILES | O=C1CC(O)=NC1Cc1ccccc1 |
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| InChI Key | KXJCIAXLTIETRA-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | benzene and substituted derivatives |
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| Direct Parent | benzene and substituted derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscyclic carboximidic acidscyclic ketoneshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundspyrrolines |
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| Substituents | monocyclic benzene moietycarbonyl grouparomatic heteromonocyclic compoundazacycleorganic 1,3-dipolar compoundcyclic ketonepropargyl-type 1,3-dipolar organic compoundketoneorganic oxidepyrrolineorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundcyclic carboximidic acidorganoheterocyclic compoundorganooxygen compound |
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