| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:21 UTC |
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| Update Date | 2025-03-25 00:50:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02183822 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H21IO9 |
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| Molecular Mass | 496.023 |
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| SMILES | O=C1CCC(Cc2cc(I)c(O)c(OC3OC(CO)C(O)C(O)C3O)c2)O1 |
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| InChI Key | GYKLGSVHABGFBM-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 | phenol ethers |
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| Subclass | phenol ethers |
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| Direct Parent | phenol ethers |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | acetalsaryl iodidescarbonyl compoundscarboxylic acid estersgamma butyrolactoneshalophenolshydrocarbon derivativesiodobenzenesmonocarboxylic acids and derivativesmonosaccharideso-iodophenolsorganic oxidesorganoiodidesoxacyclic compoundsoxanesphenoxy compoundsprimary alcoholssecondary alcoholstetrahydrofurans |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl grouparomatic heteromonocyclic compoundmonosaccharidecarboxylic acid derivativeorganohalogen compoundiodobenzeneorganoiodidelactonesaccharideorganic oxideacetaloxaneprimary alcoholorganoheterocyclic compoundalcoholtetrahydrofuran2-iodophenolgamma butyrolactonearyl halide2-halophenoloxacyclemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid estersecondary alcoholphenolhydrocarbon derivativearyl iodidehalobenzenephenoxy compoundorganooxygen compound |
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