| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:47:07 UTC |
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| Update Date | 2025-03-25 00:49:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02171854 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H20N2O2 |
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| Molecular Mass | 236.1525 |
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| SMILES | CN(C)CCC(O)CC(=O)c1ccccc1N |
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| InChI Key | PCZNXKQSKGGUHL-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 | 1,3-aminoalcoholsaryl alkyl ketonesbenzoyl derivativesbeta-hydroxy ketonesbutyrophenoneshydrocarbon derivativesorganic oxidesorganopnictogen compoundsprimary aminessecondary alcoholstrialkylaminesvinylogous amides |
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| Substituents | beta-hydroxy ketonemonocyclic benzene moietyaryl alkyl ketonebenzoylorganic oxideorganonitrogen compoundorganopnictogen compoundtertiary aminealcoholvinylogous amide1,3-aminoalcoholtertiary aliphatic aminebutyrophenonearomatic homomonocyclic compoundsecondary alcoholhydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundaminealkyl-phenylketone |
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