| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:41:37 UTC |
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| Update Date | 2025-03-25 00:47:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02159352 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H12O9S2 |
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| Molecular Mass | 339.9923 |
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| SMILES | O=S(=O)(O)Oc1c(O)cc(CC2CCS(=O)(=O)O2)cc1O |
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| InChI Key | FPMSYWMSLWFZRR-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 benzenoids1-hydroxy-4-unsubstituted benzenoidsgamma sultoneshydrocarbon derivativesorganic oxidesorganooxygen compoundsorganosulfonic acid estersoxacyclic compoundsphenoxy compoundsresorcinolssulfonic acid esterssulfuric acid monoesters |
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| Substituents | organosulfonic acid or derivativesmonocyclic benzene moietysulfuric acid monoesteroxathiolanearomatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidresorcinolphenylsulfatesulfonic acid esterorganic oxideorganoheterocyclic compound1-hydroxy-4-unsubstituted benzenoidorganosulfonic acid esteroxacycleorganic oxygen compoundorganic sulfonic acid or derivativessulfate-esterphenolhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid estergamma-sultoneorganooxygen compound |
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