| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:01:55 UTC |
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| Update Date | 2025-03-25 00:54:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02205639 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H5ClN2O4S |
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| Molecular Mass | 235.9659 |
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| SMILES | NS(=O)(=O)c1ccc([N+](=O)[O-])c(Cl)c1 |
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| InChI Key | GSRVYSLJJHIICB-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 compoundsaryl chloridesbenzenesulfonyl compoundschlorobenzeneshydrocarbon derivativesnitroaromatic compoundsnitrobenzenesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganochloridesorganonitrogen compoundsorganopnictogen compoundsorganosulfonamidespropargyl-type 1,3-dipolar organic compounds |
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| Substituents | organosulfonic acid or derivativesorganochlorideallyl-type 1,3-dipolar organic compoundorganosulfur compoundorganohalogen compoundorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundorganosulfonic acid amideorganic oxidec-nitro compoundorganonitrogen compoundorganopnictogen compoundorganic oxoazaniumnitrobenzenebenzenesulfonyl groupnitroaromatic compoundaryl chloridechlorobenzenebenzenesulfonamideaminosulfonyl compoundorganic 1,3-dipolar compoundaryl halidearomatic homomonocyclic compoundsulfonylorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundhalobenzeneorganic hyponitrite |
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