| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:48 UTC |
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| Update Date | 2025-03-25 00:50:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02180348 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H20N2O3 |
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| Molecular Mass | 324.1474 |
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| SMILES | COc1ccc(C(=O)C2CCN(C(=O)c3cccnc3)CC2)cc1 |
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| InChI Key | PWETUDIRGGXSFV-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 | alkyl aryl ethersanisolesaryl alkyl ketonesazacyclic compoundsbenzoyl derivativescarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesmethoxybenzenesmethylpyridinesn-acylpiperidinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundspyridinecarboxylic acids and derivativestertiary carboxylic acid amides |
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| Substituents | pyridine carboxylic acid or derivativesphenol ethermonocyclic benzene moietyetheraryl alkyl ketonearomatic heteromonocyclic compoundbenzoylalkyl aryl ethercarboxylic acid derivativeorganic oxidetertiary carboxylic acid amideorganonitrogen compoundorganopnictogen compoundpiperidineorganoheterocyclic compoundazacycleheteroaromatic compoundmethylpyridinecarboxamide groupmethoxybenzenen-acyl-piperidinepyridineanisolehydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundalkyl-phenylketone |
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