| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:54:42 UTC |
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| Update Date | 2025-03-25 00:51:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02189242 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H16O4 |
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| Molecular Mass | 236.1049 |
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| SMILES | CC(C)CC(=O)c1ccccc1OCC(=O)O |
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| InChI Key | CIZVTPBTFZOZKX-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | alkyl-phenylketones |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersaryl alkyl ketonesbenzoyl derivativesbutyrophenonescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesphenol ethersphenoxy compoundsphenoxyacetic acid derivatives |
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| Substituents | phenol ethermonocyclic benzene moietyphenoxyacetateethercarboxylic acidaryl alkyl ketonebenzoylalkyl aryl ethercarboxylic acid derivativebutyrophenonearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativeshydrocarbon derivativebenzenoidphenoxy compoundalkyl-phenylketone |
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