| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:51 UTC |
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| Update Date | 2025-03-25 00:53:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02203186 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H16O8S |
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| Molecular Mass | 332.0566 |
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| SMILES | O=C(O)CC1CC(O)C(Cc2cccc(OS(=O)(=O)O)c2)O1 |
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| InChI Key | MSIAWSXAKPVDGQ-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 | carbonyl compoundscarboxylic acidsdialkyl ethershydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsphenoxy compoundssecondary alcoholssulfuric acid monoesterstetrahydrofurans |
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| Substituents | monocyclic benzene moietysulfuric acid monoestercarbonyl groupethercarboxylic acidaromatic heteromonocyclic compoundmonosaccharidecarboxylic acid derivativedialkyl etherphenylsulfatesaccharideorganic oxideorganoheterocyclic compoundalcoholtetrahydrofuranoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholsulfate-esterhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compound |
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