| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:08:51 UTC |
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| Update Date | 2025-03-21 18:30:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00083401 |
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| Frequency | 34.5 |
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| Structure | |
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| Chemical Formula | C2H5NO5S |
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| Molecular Mass | 154.9888 |
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| SMILES | O=[N+]([O-])CCS(=O)(=O)O |
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| InChI Key | XUQAFGRPWSFCHX-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | organic sulfonic acids and derivatives |
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| Subclass | organosulfonic acids and derivatives |
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| Direct Parent | organosulfonic acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | c-nitro compoundshydrocarbon derivativesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssulfonyls |
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| Substituents | aliphatic acyclic compoundorganosulfonic acidallyl-type 1,3-dipolar organic compoundorganic 1,3-dipolar compoundorganosulfur compoundorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundorganic oxidesulfonylorganic oxygen compoundc-nitro compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic oxoazaniumorganic hyponitrite |
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