| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:06 UTC |
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| Update Date | 2025-03-25 00:47:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02160412 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H6ClNO3S |
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| Molecular Mass | 206.9757 |
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| SMILES | Nc1ccc(Cl)c(S(=O)(=O)O)c1 |
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| InChI Key | VPXCXBHLKDPWQV-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 | benzenesulfonic acids and derivatives |
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| Direct Parent | benzenesulfonic acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-sulfo,2-unsubstituted aromatic compoundsaryl chloridesarylsulfonic acids and derivativesbenzenesulfonyl compoundschlorobenzeneshydrocarbon derivativesorganic oxidesorganochloridesorganopnictogen compoundsorganosulfonic acidsprimary aminessulfonyls |
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| Substituents | organosulfonic acid or derivativesorganochlorideorganosulfonic acidbenzenesulfonateorganosulfur compoundorganohalogen compoundorganic oxideorganonitrogen compoundorganopnictogen compoundbenzenesulfonyl grouparyl chloridechlorobenzene1-sulfo,2-unsubstituted aromatic compoundaryl halidearomatic homomonocyclic compoundsulfonylarylsulfonic acid or derivativesorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativeprimary amineorganic nitrogen compoundhalobenzeneamine |
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