| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:23:32 UTC |
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| Update Date | 2025-03-21 18:38:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00118914 |
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| Frequency | 21.9 |
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| Structure | |
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| Chemical Formula | C9H12INO2 |
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| Molecular Mass | 292.9913 |
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| SMILES | COc1c(O)cc(CCN)cc1I |
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| InChI Key | ZHBGNLXWGFJTRQ-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 | methoxyphenols |
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| Direct Parent | methoxyphenols |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl aryl ethersanisolesaryl iodideshalophenolshydrocarbon derivativesiodobenzenesm-iodophenolsmethoxybenzenesmonoalkylaminesorganoiodidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compounds |
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| Substituents | phenol ethermonocyclic benzene moietyether1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl etherorganohalogen compoundiodobenzeneorganoiodideorganonitrogen compoundorganopnictogen compound3-halophenol1-hydroxy-4-unsubstituted benzenoidmethoxybenzenearyl halidearomatic homomonocyclic compoundorganic oxygen compoundanisolehydrocarbon derivativeprimary aliphatic aminearyl iodideorganic nitrogen compoundhalobenzenephenoxy compound3-iodophenolorganooxygen compound |
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