| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:31:20 UTC |
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| Update Date | 2025-03-21 18:41:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00137112 |
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| Frequency | 18.2 |
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| Structure | |
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| Chemical Formula | C11H10I2O3 |
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| Molecular Mass | 443.8719 |
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| SMILES | O=C1CCC(Cc2cc(I)c(O)c(I)c2)O1 |
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| InChI Key | FKWITWQOCCGAEZ-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 | halophenols |
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| Direct Parent | halophenols |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | aryl iodidescarbonyl compoundscarboxylic acid estersgamma butyrolactoneshydrocarbon derivativesiodobenzenesmonocarboxylic acids and derivativeso-iodophenolsorganic oxidesorganoiodidesoxacyclic compoundstetrahydrofurans |
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| Substituents | monocyclic benzene moietycarbonyl grouparomatic heteromonocyclic compoundcarboxylic acid derivativeorganohalogen compoundiodobenzeneorganoiodidelactoneorganic oxideorganoheterocyclic compoundtetrahydrofuran2-iodophenolgamma butyrolactonearyl halide2-halophenoloxacyclemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativearyl iodidehalobenzeneorganooxygen compound |
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