| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:45:58 UTC |
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| Update Date | 2025-03-21 18:00:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00028942 |
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| Frequency | 129.6 |
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| Structure | |
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| Chemical Formula | C7H7NO5S |
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| Molecular Mass | 217.0045 |
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| SMILES | NS(=O)(=O)c1cc(C(=O)O)ccc1O |
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| InChI Key | XALBAJJLPMHBMH-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 | benzenesulfonamides |
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| Direct Parent | benzenesulfonamides |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsaminosulfonyl compoundsbenzenesulfonyl compoundsbenzoic acidsbenzoyl derivativescarboxylic acidshydrocarbon derivativeshydroxybenzoic acid derivativesmonocarboxylic acids and derivativesorganic nitrogen compoundsorganic oxidesorganooxygen compoundsorganosulfonamides |
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| Substituents | organosulfonic acid or derivativescarboxylic acidbenzoyl1-hydroxy-2-unsubstituted benzenoidorganosulfur compoundcarboxylic acid derivativeorganosulfonic acid amideorganic oxidebenzoic acidbenzenesulfonyl groupbenzenesulfonamideaminosulfonyl compoundbenzoic acid or derivativeshydroxybenzoic acidaromatic homomonocyclic compoundmonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativesphenolhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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