| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:04:14 UTC |
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| Update Date | 2025-03-25 00:55:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02211087 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H13NO3 |
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| Molecular Mass | 219.0895 |
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| SMILES | CC(=O)CCC(=O)c1ccccc1NC=O |
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| InChI Key | QYOWUYAEIKETTJ-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 homomonocyclic compounds |
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| Alternative Parents | anilidesaryl alkyl ketonesbenzoyl derivativesbutyrophenonescarboxylic acids and derivativeshydrocarbon derivativesn-arylamidesorganic oxidesorganopnictogen compoundssecondary carboxylic acid amidesvinylogous amides |
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| Substituents | monocyclic benzene moietyaryl alkyl ketonebenzoyln-arylamidecarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundvinylogous amidecarboxamide groupbutyrophenonearomatic homomonocyclic compoundanilidesecondary carboxylic acid amidehydrocarbon derivativebenzenoidorganic nitrogen compoundalkyl-phenylketone |
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