| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:40 UTC |
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| Update Date | 2025-03-25 00:54:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02207342 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H11NO5S |
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| Molecular Mass | 293.0358 |
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| SMILES | Nc1ccc(OS(=O)(=O)c2ccc(C(=O)O)cc2)cc1 |
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| InChI Key | CWAOUTVLHPHFAK-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 | amino acidsarylsulfonic acids and derivativesbenzenesulfonyl compoundsbenzoic acidsbenzoyl derivativescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundsorganosulfonic acid estersphenoxy compoundsprimary aminessulfonyls |
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| Substituents | organosulfonic acid or derivativesbenzenesulfonate estercarboxylic acidamino acid or derivativesamino acidbenzoylorganosulfur compoundcarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundbenzoic acidbenzenesulfonyl groupbenzoic acid or derivativesorganosulfonic acid esteraromatic homomonocyclic compoundmonocarboxylic acid or derivativessulfonylorganic oxygen compoundarylsulfonic acid or derivativesorganic sulfonic acid or derivativeshydrocarbon derivativeprimary amineorganic nitrogen compoundphenoxy compoundamineorganooxygen compound |
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