| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:29:11 UTC |
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| Update Date | 2025-03-21 18:41:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00132231 |
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| Frequency | 19.1 |
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| Structure | |
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| Chemical Formula | C11H11NO2 |
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| Molecular Mass | 189.079 |
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| SMILES | C=CC(=O)CC(=O)c1ccccc1N |
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| InChI Key | JVVYVEYLLZZSPF-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 | acryloyl compoundsaryl alkyl ketonesbenzoyl derivativesbutyrophenonesenoneshydrocarbon derivativesorganic oxidesorganopnictogen compoundsprimary aminesvinylogous amides |
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| Substituents | monocyclic benzene moietyaryl alkyl ketonebenzoylalpha,beta-unsaturated ketoneorganic oxideorganonitrogen compoundorganopnictogen compoundenonevinylogous amidebutyrophenonearomatic homomonocyclic compoundhydrocarbon derivativebenzenoidacryloyl-groupprimary amineorganic nitrogen compoundaminealkyl-phenylketone |
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