| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:19:50 UTC |
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| Update Date | 2025-03-25 01:01:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02246775 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H16N2O |
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| Molecular Mass | 216.1263 |
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| SMILES | CCC1=NC(Cc2ccccc2)C(O)=NC1 |
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| InChI Key | PQRUPDBFHICHAA-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 acidshydrocarbon derivativesketiminesorganooxygen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | ketiminemonocyclic benzene moietyaromatic heteromonocyclic compoundazacycleimineorganic 1,3-dipolar compoundpropargyl-type 1,3-dipolar organic compoundorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundcyclic carboximidic acidorganoheterocyclic compoundorganooxygen compound |
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