| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:06:02 UTC |
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| Update Date | 2025-03-25 00:55:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02215254 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H11NO |
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| Molecular Mass | 185.0841 |
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| SMILES | CC1=NC(=Cc2ccccc2)C(=O)C1 |
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| InChI Key | SFRBMWZDUAYFCR-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 ketoneshydrocarbon derivativesketiminesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundspyrrolines |
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| Substituents | ketiminemonocyclic benzene moietycarbonyl grouparomatic heteromonocyclic compoundazacycleimineorganic 1,3-dipolar compoundcyclic ketonepropargyl-type 1,3-dipolar organic compoundketoneorganic oxidepyrrolineorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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