| Record Information |
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| HMDB Status | predicted |
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| Creation Date | 2024-02-21 00:22:22 UTC |
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| Update Date | 2025-03-21 18:37:31 UTC |
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| HMDB ID | HMDB0133466 |
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| Metabolite Identification |
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| DeepMet ID | DMID00116081 |
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| Name | 4-(3-methoxyphenyl)but-3-en-2-one |
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| Frequency | 22.6 |
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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 | COc1cccc(C=CC(C)=O)c1 |
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| InChI Key | NGEZPLCPKXKLQQ-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 compoundsalkyl aryl ethersanisolesenoneshydrocarbon derivativesketonesmethoxybenzenesorganic oxidesphenoxy compounds |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupetheralkyl aryl etheralpha,beta-unsaturated ketonemethoxybenzeneketonearomatic homomonocyclic compoundcinnamic acid or derivativesorganic oxideorganic oxygen compoundanisolehydrocarbon derivativebenzenoidacryloyl-groupphenoxy compoundorganooxygen compoundenone |
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