| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:02 UTC |
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| Update Date | 2025-03-25 00:50:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02183129 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H4ClIO3S |
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| Molecular Mass | 317.8614 |
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| SMILES | O=S(=O)(O)c1cc(I)ccc1Cl |
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| InChI Key | FOVRIMGVINPWNC-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 chloridesaryl iodidesarylsulfonic acids and derivativesbenzenesulfonyl compoundschlorobenzeneshydrocarbon derivativesiodobenzenesorganic oxidesorganochloridesorganoiodidesorganosulfonic acidssulfonyls |
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| Substituents | organosulfonic acid or derivativesorganochlorideorganosulfonic acidbenzenesulfonateorganosulfur compoundorganohalogen compoundiodobenzeneorganoiodideorganic oxidebenzenesulfonyl grouparyl chloridechlorobenzene1-sulfo,2-unsubstituted aromatic compoundaryl halidearomatic homomonocyclic compoundsulfonylarylsulfonic acid or derivativesorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativearyl iodidehalobenzene |
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