| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:56:47 UTC |
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| Update Date | 2025-03-21 18:05:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00054545 |
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| Frequency | 58.9 |
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| Structure | |
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| Chemical Formula | C13H16O2 |
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| Molecular Mass | 204.115 |
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| SMILES | CCCCCC(=O)C(=O)c1ccccc1 |
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| InChI Key | BEBNXVWFUWXUIB-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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