| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:57:59 UTC |
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| Update Date | 2025-03-25 00:52:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02196577 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H20O8S |
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| Molecular Mass | 360.0879 |
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| SMILES | CCC(CCC(C)=O)COC(=O)c1ccc(OS(=O)(=O)O)c(O)c1 |
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| InChI Key | ASGPLQABWYMKPG-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 | benzene and substituted derivatives |
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| Subclass | benzoic acids and derivatives |
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| Direct Parent | m-hydroxybenzoic acid esters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsbenzoyl derivativescarboxylic acid estershydrocarbon derivativesketonesmonocarboxylic acids and derivativesorganic oxidesphenoxy compoundsphenylsulfatessulfuric acid monoesters |
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| Substituents | sulfuric acid monoestercarbonyl groupbenzoyl1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeketonephenylsulfateorganic oxidearylsulfatem-hydroxybenzoic acid esterorganic sulfuric acid or derivatives1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid estersulfate-esterphenolhydrocarbon derivativephenoxy compoundsulfuric acid esterorganooxygen compound |
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