| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:09 UTC |
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| Update Date | 2025-03-25 00:49:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02176554 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H15N3O2 |
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| Molecular Mass | 221.1164 |
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| SMILES | CN(CCCC(=O)c1cccc(N)c1)N=O |
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| InChI Key | UPDHKOONRLSOSN-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 derivativesbutyrophenoneshydrocarbon derivativesorganic n-nitroso compoundsorganic oxidesorganooxygen compoundsorganopnictogen compoundsphenylbutylaminesprimary amines |
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| Substituents | monocyclic benzene moietyorganic nitroso compoundaryl alkyl ketonebenzoylbutyrophenonearomatic homomonocyclic compoundorganic n-nitroso compoundorganic oxidephenylbutylamineorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundaminealkyl-phenylketone |
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