| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:30:03 UTC |
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| Update Date | 2025-03-21 18:41:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00134177 |
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| Frequency | 18.8 |
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| Structure | |
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| Chemical Formula | C14H12O9S |
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| Molecular Mass | 356.0202 |
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| SMILES | Cc1c(C(=O)OS(=O)(=O)c2ccc(O)cc2O)cc(O)c(O)c1O |
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| InChI Key | SKAQVMWHZBWOFH-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | benzenesulfonic acids and derivatives |
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| Direct Parent | benzenesulfonate esters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsarylsulfonic acids and derivativesbenzenesulfonyl compoundsbenzoic acids and derivativesbenzoyl derivativeshydrocarbon derivativesmeta cresolsmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsortho cresolspara cresolspyrogallols and derivativesresorcinolssulfonylstoluenes |
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| Substituents | organosulfonic acid or derivativesbenzenesulfonate esterbenzoyl1-hydroxy-2-unsubstituted benzenoidorganosulfur compoundcarboxylic acid derivativeresorcinolorganic oxidep-cresolo-cresolbenzenesulfonyl grouppyrogallol derivativem-cresolbenzenetriolbenzoic acid or derivatives1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compoundmonocarboxylic acid or derivativessulfonylorganic oxygen compoundarylsulfonic acid or derivativesorganic sulfonic acid or derivativesphenolhydrocarbon derivativetolueneorganooxygen compound |
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