| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:41 UTC |
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| Update Date | 2025-03-25 00:53:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02200558 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H16O8S |
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| Molecular Mass | 320.0566 |
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| SMILES | COc1ccc(CCCC(=O)OCOS(=O)(=O)O)cc1O |
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| InChI Key | CSTGXQSHDXKUQA-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 | phenols |
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| Subclass | methoxyphenols |
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| Direct Parent | methoxyphenols |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl aryl ethersalkyl sulfatesanisolescarbonyl compoundscarboxylic acid estersfatty acid estershydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesphenoxy compoundssulfuric acid monoesters |
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| Substituents | fatty acylphenol ethermonocyclic benzene moietysulfuric acid monoestercarbonyl groupether1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl ethercarboxylic acid derivativeorganic oxidealkyl sulfateorganic sulfuric acid or derivatives1-hydroxy-4-unsubstituted benzenoidmethoxybenzenearomatic homomonocyclic compoundfatty acid estermonocarboxylic acid or derivativesorganic oxygen compoundanisolecarboxylic acid estersulfate-esterhydrocarbon derivativephenoxy compoundsulfuric acid esterorganooxygen compound |
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