| Record Information |
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| HMDB Status | expected |
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| Creation Date | 2024-02-20 23:40:54 UTC |
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| Update Date | 2025-03-21 17:58:53 UTC |
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| HMDB ID | HMDB0031567 |
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| Metabolite Identification |
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| DeepMet ID | DMID00017346 |
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| Name | 3-Methyl-4-phenyl-3-buten-2-one |
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| Frequency | 243.7 |
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| Structure | |
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| Chemical Formula | C11H12O |
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| Molecular Mass | 160.0888 |
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| SMILES | CC(=O)C(C)=Cc1ccccc1 |
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| InChI Key | BQJFBHBDOAIIGS-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | phenylpropanoids and polyketides |
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| Class | cinnamic acids and derivatives |
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| Subclass | cinnamic acids and derivatives |
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| Direct Parent | cinnamic acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | acryloyl compoundsalpha-branched alpha,beta-unsaturated ketonesbenzene and substituted derivativesenoneshydrocarbon derivativesketonesorganic oxides |
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| Substituents | alpha-branched alpha,beta-unsaturated-ketonemonocyclic benzene moietycarbonyl groupalpha,beta-unsaturated ketoneketonearomatic homomonocyclic compoundcinnamic acid or derivativesorganic oxideorganic oxygen compoundhydrocarbon derivativebenzenoidacryloyl-grouporganooxygen compoundenone |
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