| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:50:53 UTC |
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| Update Date | 2025-03-21 18:02:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00040650 |
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| Frequency | 84.9 |
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| Structure | |
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| Chemical Formula | C17H15IO4 |
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| Molecular Mass | 410.0015 |
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| SMILES | O=C1CCC(Cc2ccc(Oc3ccc(O)cc3)c(I)c2)O1 |
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| InChI Key | SLHIZRBIEOKCRG-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 | diphenylethers |
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| Direct Parent | diphenylethers |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsaryl iodidescarbonyl compoundscarboxylic acid estersdiarylethersgamma butyrolactoneshydrocarbon derivativesiodobenzenesmonocarboxylic acids and derivativesorganic oxidesorganoiodidesoxacyclic compoundsphenol ethersphenoxy compoundstetrahydrofurans |
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| Substituents | diaryl etherphenol ethercarbonyl groupetheraromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeorganohalogen compoundiodobenzeneorganoiodidelactoneorganic oxideorganoheterocyclic compoundtetrahydrofurangamma butyrolactonearyl halideoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterphenolhydrocarbon derivativearyl iodidehalobenzenephenoxy compounddiphenyletherorganooxygen compound |
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