| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:46:48 UTC |
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| Update Date | 2025-03-25 00:48:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02171131 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H12O8S |
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| Molecular Mass | 304.0253 |
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| SMILES | COS(=O)(=O)Oc1cc(O)cc(CC2OCOC2=O)c1 |
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| InChI Key | DUMAUQLAIQQLQQ-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 | arylsulfates |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1,3-dioxolanes1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalsalkyl sulfatescarbonyl compoundscarboxylic acid estershydrocarbon derivativeslactonesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsphenoxy compoundssulfuric acid diesters |
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| Substituents | monocyclic benzene moietymeta-dioxolanecarbonyl grouparomatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativelactoneorganic oxidesulfuric acid diesteracetalalkyl sulfatearylsulfateorganoheterocyclic compound1-hydroxy-4-unsubstituted benzenoidoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterphenolhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compound |
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