| Record Information |
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| HMDB Status | predicted |
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| Creation Date | 2024-02-20 23:36:37 UTC |
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| Update Date | 2025-03-21 17:57:23 UTC |
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| HMDB ID | HMDB0133755 |
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| Metabolite Identification |
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| DeepMet ID | DMID00007580 |
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| Name | 1-phenylbutane-2,3-dione |
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| Frequency | 663.2 |
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| Structure | |
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| Chemical Formula | C10H10O2 |
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| Molecular Mass | 162.0681 |
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| SMILES | CC(=O)C(=O)Cc1ccccc1 |
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| InChI Key | WZLKRAJHCPNZAA-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 | alpha-diketoneshydrocarbon derivativesorganic oxides |
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| Substituents | ketonearomatic homomonocyclic compoundmonocyclic benzene moietycarbonyl grouporganic oxideorganic oxygen compoundhydrocarbon derivativealpha-diketoneorganooxygen compound |
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