| Record Information |
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| HMDB Status | predicted |
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| Creation Date | 2024-02-20 23:48:31 UTC |
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| Update Date | 2025-03-21 18:01:48 UTC |
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| HMDB ID | HMDB0133469 |
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| Metabolite Identification |
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| DeepMet ID | DMID00034960 |
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| Name | 4-(3-methoxyphenyl)butan-2-one |
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| Frequency | 102.4 |
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| Structure | |
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| Chemical Formula | C11H14O2 |
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| Molecular Mass | 178.0994 |
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| SMILES | COc1cccc(CCC(C)=O)c1 |
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| InChI Key | GKSSPQLFNAMWSE-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 | phenol ethers |
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| Subclass | anisoles |
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| Direct Parent | anisoles |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethershydrocarbon derivativesketonesmethoxybenzenesorganic oxidesphenoxy compounds |
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| Substituents | monocyclic benzene moietycarbonyl groupetheralkyl aryl ethermethoxybenzeneketonearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundanisolehydrocarbon derivativephenoxy compoundorganooxygen compound |
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