| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:14 UTC |
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| Update Date | 2025-03-25 00:51:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02185840 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H14O9S |
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| Molecular Mass | 370.0359 |
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| SMILES | O=C(CCc1ccc(O)c(OS(=O)(=O)O)c1)Oc1c(O)cccc1O |
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| InChI Key | RGFAHNDBNGZZBX-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 homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidscarbonyl compoundscarboxylic acid estersfatty acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesphenol estersphenoxy compoundsresorcinolssulfuric acid monoesters |
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| Substituents | fatty acylmonocyclic benzene moietysulfuric acid monoestercarbonyl group1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeresorcinolphenylsulfateorganic oxide1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compoundfatty acid estermonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterphenol estersulfate-esterphenolhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compound |
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