| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:41:52 UTC |
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| Update Date | 2025-03-25 00:47:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02159895 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H7IO3S |
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| Molecular Mass | 333.9161 |
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| SMILES | O=S(=O)(O)c1cccc2ccc(I)cc12 |
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| InChI Key | NIUHAVSNVBKUML-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 | naphthalenes |
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| Subclass | naphthalene sulfonic acids and derivatives |
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| Direct Parent | 1-naphthalene sulfonic acids and derivatives |
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| Geometric Descriptor | aromatic homopolycyclic compounds |
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| Alternative Parents | 1-naphthalene sulfonates1-sulfo,2-unsubstituted aromatic compoundsaryl iodidesarylsulfonic acids and derivativeshydrocarbon derivativesorganic oxidesorganoiodidesorganosulfonic acidssulfonyls |
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| Substituents | organosulfonic acid or derivatives1-sulfo,2-unsubstituted aromatic compoundorganosulfonic acidaromatic homopolycyclic compoundorganosulfur compoundorganohalogen compound1-naphthalene sulfonic acid or derivativesorganoiodidearyl halide1-naphthalene sulfonateorganic oxidesulfonylarylsulfonic acid or derivativesorganic oxygen compoundorganic sulfonic acid or derivativesnaphthalene sulfonatehydrocarbon derivativearyl iodide |
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