| Record Information |
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| HMDB Status | predicted |
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| Creation Date | 2024-02-20 23:34:53 UTC |
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| Update Date | 2025-03-21 17:56:47 UTC |
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| HMDB ID | HMDB0133746 |
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| Metabolite Identification |
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| DeepMet ID | DMID00003594 |
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| Name | 4-phenylbutan-2-one |
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| Frequency | 1621.4 |
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| Structure | |
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| Chemical Formula | C10H12O |
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| Molecular Mass | 148.0888 |
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| SMILES | CC(=O)CCc1ccccc1 |
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| InChI Key | AKGGYBADQZYZPD-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 | benzene and substituted derivatives |
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| Direct Parent | benzene and substituted derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | hydrocarbon derivativesketonesorganic oxides |
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| Substituents | ketonearomatic homomonocyclic compoundmonocyclic benzene moietycarbonyl grouporganic oxideorganic oxygen compoundhydrocarbon derivativeorganooxygen compound |
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