| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:42:43 UTC |
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| Update Date | 2025-03-21 17:59:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00021399 |
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| Frequency | 187.1 |
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| Structure | |
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| Chemical Formula | C7H6O6S |
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| Molecular Mass | 217.9885 |
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| SMILES | O=C(O)c1ccc(O)c(S(=O)(=O)O)c1 |
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| InChI Key | SGCFEHFRPLRRQU-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 | 3-sulfobenzoic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-sulfo,2-unsubstituted aromatic compoundsarylsulfonic acids and derivativesbenzenesulfonyl compoundsbenzoic acidsbenzoyl derivativescarboxylic acidshydrocarbon derivativeshydroxybenzoic acid derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsorganosulfonic acidssulfonyls |
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| Substituents | organosulfonic acid or derivativescarboxylic acidorganosulfonic acidbenzoyl1-hydroxy-2-unsubstituted benzenoidorganosulfur compoundcarboxylic acid derivativeorganic oxide3-sulfobenzoic acidbenzoic acidbenzenesulfonyl group1-sulfo,2-unsubstituted aromatic compoundbenzoic acid or derivativeshydroxybenzoic acidaromatic homomonocyclic compoundmonocarboxylic acid or derivativessulfonylorganic oxygen compoundarylsulfonic acid or derivativesorganic sulfonic acid or derivativesphenolhydrocarbon derivativeorganooxygen compound |
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