| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:15:10 UTC |
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| Update Date | 2025-03-21 18:33:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00098471 |
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| Frequency | 27.9 |
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| Structure | |
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| Chemical Formula | C6H6N2O4S |
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| Molecular Mass | 202.0048 |
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| SMILES | NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 |
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| InChI Key | QWKKYJLAUWFPDB-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 | aminosulfonyl compoundsbenzenesulfonyl compoundshydrocarbon derivativesnitroaromatic compoundsnitrobenzenesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganopnictogen compoundsorganosulfonamidespropargyl-type 1,3-dipolar organic compounds |
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| Substituents | organosulfonic acid or derivativesallyl-type 1,3-dipolar organic compoundorganosulfur compoundorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundorganosulfonic acid amideorganic oxidec-nitro compoundorganonitrogen compoundorganopnictogen compoundorganic oxoazaniumnitrobenzenebenzenesulfonyl groupnitroaromatic compoundbenzenesulfonamideaminosulfonyl compoundorganic 1,3-dipolar compoundaromatic homomonocyclic compoundsulfonylorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganic hyponitrite |
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