| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:55:05 UTC |
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| Update Date | 2025-03-25 00:51:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02190122 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H14O3 |
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| Molecular Mass | 206.0943 |
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| SMILES | CC(=O)CCC(=O)Oc1ccccc1C |
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| InChI Key | MSKHGCUBAJHMKQ-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 | carboxylic acid estersfatty acid estersgamma-keto acids and derivativeshydrocarbon derivativesketonesmonocarboxylic acids and derivativesorganic oxidesphenoxy compoundstoluenes |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acid derivativegamma-keto acidketonearomatic homomonocyclic compoundfatty acid esterorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundketo acidcarboxylic acid esterphenol esterhydrocarbon derivativephenoxy compoundtolueneorganooxygen compound |
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