| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:56:19 UTC |
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| Update Date | 2025-03-21 18:04:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00053490 |
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| Frequency | 60.5 |
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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 | CNCC(O)c1ccc(O)c(I)c1 |
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| InChI Key | XXHBNVBDFWTSGY-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 | halophenols |
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| Direct Parent | halophenols |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsaromatic alcoholsaryl iodidesdialkylamineshydrocarbon derivativesiodobenzeneso-iodophenolsorganoiodidesorganopnictogen compoundssecondary alcohols |
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| Substituents | aromatic alcoholmonocyclic benzene moiety1-hydroxy-2-unsubstituted benzenoidorganohalogen compoundiodobenzeneorganoiodideorganonitrogen compoundorganopnictogen compoundalcoholsecondary aliphatic amine2-iodophenolsecondary aminearyl halidearomatic homomonocyclic compound2-halophenolorganic oxygen compoundsecondary alcoholhydrocarbon derivativearyl iodideorganic nitrogen compoundhalobenzeneorganooxygen compoundamine |
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