| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:11 UTC |
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| Update Date | 2025-03-25 00:50:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02183463 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H12O9S |
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| Molecular Mass | 332.0202 |
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| SMILES | O=C(O)Cc1ccc(OC(=O)CCC(=O)OS(=O)(=O)O)cc1 |
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| InChI Key | FSCIGLNNTHLCBK-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 acidsfatty acid estershydrocarbon derivativesorganic oxidesphenoxy compoundssulfuric acid monoesterstricarboxylic acids and derivatives |
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| Substituents | fatty acylmonocyclic benzene moietysulfuric acid monoestercarbonyl groupcarboxylic acidorganic sulfuric acid or derivativestricarboxylic acid or derivativescarboxylic acid derivativearomatic homomonocyclic compoundfatty acid esterorganic oxideorganic oxygen compoundcarboxylic acid esterphenol esterhydrocarbon derivativephenoxy compoundsulfuric acid esterorganooxygen compound |
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