| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:14 UTC |
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| Update Date | 2025-03-25 00:59:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02236121 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H24N2O3 |
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| Molecular Mass | 304.1787 |
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| SMILES | COc1ccc(C(=O)C2CCN(CCCNC(C)=O)C2)cc1 |
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| InChI Key | GVVFZRQTQPRYJK-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 | acetamidesalkyl aryl ethersamino acids and derivativesanisolesaryl alkyl ketonesazacyclic compoundsbenzoyl derivativesbeta-amino ketonescarboxylic acids and derivativesgamma-amino ketoneshydrocarbon derivativesmethoxybenzenesn-alkylpyrrolidinesorganic oxidesorganopnictogen compoundsphenoxy compoundssecondary carboxylic acid amidestrialkylamines |
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| Substituents | phenol ethermonocyclic benzene moietyetheraryl alkyl ketonearomatic heteromonocyclic compoundamino acid or derivativesbenzoylalkyl aryl ethercarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundbeta-aminoketonepyrrolidinetertiary amineorganoheterocyclic compoundacetamidegamma-aminoketoneazacyclen-alkylpyrrolidinetertiary aliphatic aminecarboxamide groupmethoxybenzenesecondary carboxylic acid amideanisolehydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundaminealkyl-phenylketone |
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