| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:01:34 UTC |
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| Update Date | 2025-03-25 00:54:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02204832 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H12O8S |
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| Molecular Mass | 328.0253 |
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| SMILES | O=S(=O)(OC(O)c1ccc(O)c(O)c1)c1ccc(O)c(O)c1 |
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| InChI Key | AMTHLSRMSVHCDC-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 benzenoidsaromatic alcoholsarylsulfonic acids and derivativesbenzenesulfonyl compoundshydrocarbon derivativesorganic oxidesorganooxygen compoundsorganosulfonic acid esterssulfonyls |
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| Substituents | aromatic alcoholorganosulfonic acid or derivativesbenzenesulfonate ester1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidorganosulfur compoundorganosulfonic acid esteraromatic homomonocyclic compoundorganic oxidesulfonylorganic oxygen compoundarylsulfonic acid or derivativesorganic sulfonic acid or derivativesphenolhydrocarbon derivativeorganooxygen compoundbenzenesulfonyl group |
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