| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:57:10 UTC |
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| Update Date | 2025-03-21 18:05:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00055442 |
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| Frequency | 57.7 |
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| Structure | |
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| Chemical Formula | C13H19NO2 |
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| Molecular Mass | 221.1416 |
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| SMILES | CCN(CC)CC(=O)c1ccc(OC)cc1 |
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| InChI Key | NBCHSSXRKYVABR-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 | alkyl aryl ethersalpha-amino ketonesanisolesaryl alkyl ketonesbenzoyl derivativeshydrocarbon derivativesmethoxybenzenesorganic oxidesorganopnictogen compoundsphenoxy compoundstrialkylamines |
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| Substituents | phenol ethermonocyclic benzene moietyetheraryl alkyl ketonebenzoylalkyl aryl etherorganic oxidealpha-aminoketoneorganonitrogen compoundorganopnictogen compoundtertiary aminetertiary aliphatic aminemethoxybenzenearomatic homomonocyclic compoundanisolehydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundaminealkyl-phenylketone |
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