Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 00:20:19 UTC |
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Update Date | 2025-03-21 18:36:32 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00111101 |
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Frequency | 44.7 |
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Structure | |
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Chemical Formula | C11H15N3O |
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Molecular Mass | 205.1215 |
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SMILES | NC(N)=NCCCC(=O)c1ccccc1 |
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InChI Key | PJHWHJNKKAIVEW-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 | alkyl-phenylketones |
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Geometric Descriptor | aromatic homomonocyclic compounds |
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Alternative Parents | aryl alkyl ketonesbenzoyl derivativesbutyrophenonescarboximidamidesguanidineshydrocarbon derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundsphenylbutylaminespropargyl-type 1,3-dipolar organic compounds |
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Substituents | monocyclic benzene moietyaryl alkyl ketoneguanidinebenzoylorganic 1,3-dipolar compoundcarboximidamidepropargyl-type 1,3-dipolar organic compoundbutyrophenonearomatic homomonocyclic compoundorganic oxidephenylbutylamineorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundalkyl-phenylketone |
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