| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:17:26 UTC |
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| Update Date | 2025-03-21 18:35:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00104054 |
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| Frequency | 26.1 |
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| Structure | |
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| Chemical Formula | C7H5NO6S |
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| Molecular Mass | 230.9838 |
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| SMILES | O=C(O)c1ccc(S(=O)(=O)[N+](=O)[O-])cc1 |
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| InChI Key | IOGIZJXUNLSISQ-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 | benzenesulfonyl compoundsbenzoic acidsbenzoyl derivativescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic nitro compoundsorganic nitrogen compoundsorganic oxidesorganic oxoanionic compoundsorganooxygen compoundsorganosulfonic acids and derivativessulfonyls |
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| Substituents | organosulfonic acid or derivativescarboxylic acidallyl-type 1,3-dipolar organic compoundbenzoylorganosulfur compoundcarboxylic acid derivativeorganic nitro compoundorganic oxidebenzoic acidbenzenesulfonyl groupbenzenesulfonamidebenzoic acid or derivativesorganic 1,3-dipolar compoundaromatic homomonocyclic compoundmonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundorganic hyponitrite |
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