| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:56:11 UTC |
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| Update Date | 2025-03-21 18:04:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00053189 |
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| Frequency | 60.9 |
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| Structure | |
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| Chemical Formula | C11H12O2 |
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| Molecular Mass | 176.0837 |
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| SMILES | CC(C)C(=O)C(=O)c1ccccc1 |
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| InChI Key | YDJHKEKQYGIJGI-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 oxides |
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| Substituents | carbonyl groupbenzoylalpha-diketoneketonebutyrophenonearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundhydrocarbon derivativeorganooxygen compoundaryl ketone |
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