| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:28:21 UTC |
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| Update Date | 2025-03-21 18:40:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00130269 |
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| Frequency | 19.5 |
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| Structure | |
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| Chemical Formula | C11H13NO2 |
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| Molecular Mass | 191.0946 |
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| SMILES | CC(C)C(=O)C(=O)c1ccccc1N |
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| InChI Key | LQSLHZBKRQRVSA-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | butyrophenones |
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| Direct Parent | butyrophenones |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha-diketonesaryl ketonesbenzoyl derivativeshydrocarbon derivativesorganic oxidesorganopnictogen compoundsprimary aminesvinylogous amides |
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| Substituents | vinylogous amidecarbonyl groupbenzoylalpha-diketoneketonebutyrophenonearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compoundaryl ketone |
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