| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:23:03 UTC |
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| Update Date | 2025-03-21 18:37:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00117745 |
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| Frequency | 22.2 |
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| Structure | |
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| Chemical Formula | C13H18NO+ |
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| Molecular Mass | 204.1383 |
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| SMILES | C[N+]1(C)CCCC1C(=O)c1ccccc1 |
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| InChI Key | CRTPHBVKMNSEDL-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 heteromonocyclic compounds |
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| Alternative Parents | alpha-amino ketonesaminesaryl alkyl ketonesazacyclic compoundsbenzoyl derivativeshydrocarbon derivativesn-alkylpyrrolidinesorganic cationsorganic oxidesorganic saltsorganooxygen compoundsorganopnictogen compoundstetraalkylammonium salts |
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| Substituents | monocyclic benzene moietyaryl alkyl ketonearomatic heteromonocyclic compoundbenzoylorganic oxidealpha-aminoketoneorganonitrogen compoundorganopnictogen compoundorganic cationorganic saltpyrrolidineorganoheterocyclic compoundtetraalkylammonium saltazacyclen-alkylpyrrolidinequaternary ammonium salthydrocarbon derivativebenzenoidorganic nitrogen compoundaminealkyl-phenylketone |
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