| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:02:17 UTC |
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| Update Date | 2025-03-21 18:07:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00067605 |
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| Frequency | 44.9 |
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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 | COc1cc(CCN)cc(I)c1O |
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| InChI Key | LOTIEFZRPKXYRT-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 | alkyl aryl ethersanisolesaryl iodideshalophenolshydrocarbon derivativesiodobenzenesmethoxybenzenesmonoalkylamineso-iodophenolsorganoiodidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compounds |
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| Substituents | phenol ethermonocyclic benzene moietyethermethoxyphenolalkyl aryl etherorganohalogen compoundiodobenzeneorganoiodideorganonitrogen compoundorganopnictogen compound2-iodophenolmethoxybenzenearyl halidearomatic homomonocyclic compound2-halophenolorganic oxygen compoundanisolehydrocarbon derivativeprimary aliphatic aminearyl iodideorganic nitrogen compoundhalobenzenephenoxy compoundorganooxygen compound |
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