| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:45:00 UTC |
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| Update Date | 2025-03-25 00:48:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02167076 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H19NO4 |
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| Molecular Mass | 289.1314 |
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| SMILES | CC(C(=O)O)c1ccc(C(=O)CCN2CCCC2=O)cc1 |
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| InChI Key | YVWVOJVZEYUAHZ-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 | aromatic monoterpenoidsaryl alkyl ketonesazacyclic compoundsbenzoyl derivativescarboxylic acidshydrocarbon derivativeslactamsmonocarboxylic acids and derivativesmonocyclic monoterpenoidsn-alkylpyrrolidinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenylpropanoic acidspyrrolidine-2-onestertiary carboxylic acid amides |
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| Substituents | 2-pyrrolidonemonoterpenoidmonocyclic benzene moietymonocyclic monoterpenoidlactamcarboxylic acidaryl alkyl ketonearomatic heteromonocyclic compoundbenzoylp-cymenecarboxylic acid derivativeorganic oxide2-phenylpropanoic-acidtertiary carboxylic acid amideorganonitrogen compoundorganopnictogen compoundpyrrolidinepyrrolidoneorganoheterocyclic compoundazacyclen-alkylpyrrolidinecarboxamide groupmonocarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundalkyl-phenylketonearomatic monoterpenoid |
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