| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:25:19 UTC |
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| Update Date | 2025-03-21 18:38:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00123100 |
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| Frequency | 21.0 |
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| Structure | |
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| Chemical Formula | C12H14O4 |
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| Molecular Mass | 222.0892 |
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| SMILES | CC(C)c1ccccc1OC(=O)CC(=O)O |
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| InChI Key | ZCMPZJJWRLLHNE-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 esters |
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| Subclass | phenol esters |
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| Direct Parent | phenol esters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acid esterscarboxylic acidscumenesdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesphenoxy compoundsphenylpropanes |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidcarboxylic acid derivativephenylpropanearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundcarboxylic acid esterphenol esterdicarboxylic acid or derivativescumenehydrocarbon derivativephenoxy compoundorganooxygen compound |
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