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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