| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:07 UTC |
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| Update Date | 2025-03-25 00:50:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02178782 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H12O7S |
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| Molecular Mass | 288.0304 |
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| SMILES | Cc1ccccc1OC(=O)CCC(=O)OS(=O)(=O)O |
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| InChI Key | BGCDFVIZNUEQBF-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 estersdicarboxylic acids and derivativesfatty acid estershydrocarbon derivativesorganic oxidesphenoxy compoundssulfuric acid monoesterstoluenes |
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| Substituents | fatty acylmonocyclic benzene moietysulfuric acid monoestercarbonyl grouporganic sulfuric acid or derivativescarboxylic acid derivativearomatic homomonocyclic compoundfatty acid esterorganic oxideorganic oxygen compoundcarboxylic acid esterphenol esterdicarboxylic acid or derivativeshydrocarbon derivativephenoxy compoundsulfuric acid estertolueneorganooxygen compound |
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