| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:19:06 UTC |
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| Update Date | 2025-03-21 18:35:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00108156 |
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| Frequency | 24.8 |
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| Structure | |
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| Chemical Formula | C15H16INO3 |
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| Molecular Mass | 385.0175 |
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| SMILES | CNCC(O)c1ccc(Oc2ccc(O)cc2)c(I)c1 |
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| InChI Key | CSGKQILLRALRCO-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 homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsaromatic alcoholsaryl iodidesdialkylaminesdiarylethershydrocarbon derivativesiodobenzenesorganoiodidesorganopnictogen compoundsphenol ethersphenoxy compoundssecondary alcohols |
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| Substituents | aromatic alcoholdiaryl etherphenol etherether1-hydroxy-2-unsubstituted benzenoidorganohalogen compoundiodobenzeneorganoiodideorganonitrogen compoundorganopnictogen compoundalcoholsecondary aliphatic aminesecondary aminearyl halidearomatic homomonocyclic compoundorganic oxygen compoundsecondary alcoholphenolhydrocarbon derivativearyl iodideorganic nitrogen compoundhalobenzenephenoxy compounddiphenyletherorganooxygen compoundamine |
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