| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:25 UTC |
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| Update Date | 2025-03-25 00:50:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02181742 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H15NO3 |
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| Molecular Mass | 245.1052 |
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| SMILES | O=C(O)C1C2CCN(C2)C1C(=O)c1ccccc1 |
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| InChI Key | QIHHESHKTZLYTH-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 heteropolycyclic compounds |
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| Alternative Parents | alpha-amino ketonesamino acidsaryl alkyl ketonesazacyclic compoundsbenzoyl derivativescarboxylic acidsgamma-keto acids and derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesn-alkylpyrrolidinesorganic oxidesorganopnictogen compoundspiperidinecarboxylic acidspiperidinespyrrolidine carboxylic acidstrialkylamines |
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| Substituents | monocyclic benzene moietycarboxylic acidaryl alkyl ketoneamino acid or derivativesamino acidbenzoylcarboxylic acid derivativeorganic oxidealpha-aminoketonearomatic heteropolycyclic compoundpyrrolidine carboxylic acidorganonitrogen compoundorganopnictogen compoundpiperidinecarboxylic acidpiperidinepyrrolidinetertiary amineorganoheterocyclic compoundazacyclen-alkylpyrrolidinetertiary aliphatic aminegamma-keto acidmonocarboxylic acid or derivativespyrrolidine carboxylic acid or derivativesketo acidhydrocarbon derivativebenzenoidorganic nitrogen compoundaminealkyl-phenylketone |
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