| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:24 UTC |
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| Update Date | 2025-03-25 00:50:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02179428 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H15IO8 |
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| Molecular Mass | 413.9812 |
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| SMILES | Oc1ccc(OC2OC(C(O)O)C(O)C(O)C2O)cc1I |
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| InChI Key | QSQILYNDJPNNLY-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 | phenols |
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| Subclass | 4-alkoxyphenols |
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| Direct Parent | 4-alkoxyphenols |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsacetalsaryl iodidescarbonyl hydrateshalophenolshydrocarbon derivativesiodobenzenesmonosaccharideso-iodophenolsorganoiodidesoxacyclic compoundsoxanesphenol ethersphenoxy compoundssecondary alcohols |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl hydratearomatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidmonosaccharideorganohalogen compoundiodobenzeneorganoiodidesaccharideacetaloxaneorganoheterocyclic compoundalcohol4-alkoxyphenol2-iodophenolaryl halide2-halophenoloxacycleorganic oxygen compoundsecondary alcoholhydrocarbon derivativearyl iodidehalobenzenephenoxy compoundorganooxygen compound |
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