| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:44:41 UTC |
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| Update Date | 2025-03-25 00:48:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02166331 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H18O8S |
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| Molecular Mass | 346.0722 |
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| SMILES | CC1CC(Cc2ccc(O)c(OS(=O)(=O)O)c2)OC(=O)CC1O |
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| InChI Key | RKYNKLJIXKBQOJ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | organic sulfuric acids and derivatives |
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| Subclass | arylsulfates |
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| Direct Parent | phenylsulfates |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidscarbonyl compoundscarboxylic acid estershydrocarbon derivativeslactonesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsoxepanesphenoxy compoundssecondary alcoholssulfuric acid monoesters |
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| Substituents | monocyclic benzene moietysulfuric acid monoestercaprolactonecarbonyl grouparomatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativelactonephenylsulfateorganic oxideorganoheterocyclic compoundalcoholoxepaneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid estersecondary alcoholsulfate-esterphenolhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compound |
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