| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:39 UTC |
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| Update Date | 2025-03-25 00:51:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02186840 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H12INO4S |
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| Molecular Mass | 344.9532 |
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| SMILES | NCCc1ccc(O[SH](=O)(O)O)c(I)c1 |
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| InChI Key | XZVWIVVZIZUNGA-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 | phenoxy compounds |
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| Direct Parent | phenoxy compounds |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | aryl iodideshydrocarbon derivativesiodobenzenesmonoalkylaminesorganic oxidesorganoiodidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compounds |
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| Substituents | organohalogen compoundiodobenzeneorganoiodidearyl halidearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary aliphatic aminearyl iodideorganic nitrogen compoundhalobenzenephenoxy compoundorganooxygen compound |
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