| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:35:43 UTC |
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| Update Date | 2025-03-21 17:57:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00005505 |
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| Frequency | 969.9 |
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| Structure | |
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| Chemical Formula | C14H13I2NO2 |
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| Molecular Mass | 480.9036 |
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| SMILES | NCCc1cc(I)c(Oc2ccc(O)cc2)c(I)c1 |
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| InChI Key | VRTFFYRVOATSBT-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 benzenoidsaryl iodidesdiarylethershydrocarbon derivativesiodobenzenesmonoalkylaminesorganoiodidesorganonitrogen compoundsorganopnictogen compoundsphenol ethersphenoxy compounds |
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| Substituents | diaryl etherphenol etherether1-hydroxy-2-unsubstituted benzenoidorganohalogen compoundiodobenzeneorganoiodidearyl halidearomatic homomonocyclic compoundorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundphenolhydrocarbon derivativeprimary aliphatic aminearyl iodideorganic nitrogen compoundhalobenzenephenoxy compounddiphenyletherorganooxygen compound |
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