| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:44 UTC |
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| Update Date | 2025-03-25 00:46:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02157424 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H19NO4 |
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| Molecular Mass | 277.1314 |
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| SMILES | O=C(O)CCN1CCC(O)(C(=O)c2ccccc2)CC1 |
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| InChI Key | RHRBPAPCDXOILA-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 | amino acidsaryl alkyl ketonesazacyclic compoundsbenzoyl derivativescarboxylic acidsgamma-amino ketoneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspiperidinestertiary alcoholstrialkylamines |
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| Substituents | monocyclic benzene moietycarboxylic acidaryl alkyl ketonearomatic heteromonocyclic compoundamino acid or derivativesamino acidbenzoylcarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundpiperidinetertiary amineorganoheterocyclic compoundalcoholgamma-aminoketoneazacycletertiary aliphatic aminetertiary alcoholmonocarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundaminealkyl-phenylketone |
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