| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:18:29 UTC |
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| Update Date | 2025-03-21 18:35:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00106618 |
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| Frequency | 25.3 |
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| Structure | |
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| Chemical Formula | C17H18INO |
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| Molecular Mass | 379.0433 |
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| SMILES | CNC1CCC(c2ccc(O)c(I)c2)c2ccccc21 |
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| InChI Key | KOXITXJEHUPIIF-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 | tetralins |
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| Subclass | tametralines |
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| Direct Parent | tametralines |
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| Geometric Descriptor | aromatic homopolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsaryl iodidesdialkylamineshalophenolshydrocarbon derivativesiodobenzeneso-iodophenolsorganoiodidesorganooxygen compoundsorganopnictogen compounds |
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| Substituents | monocyclic benzene moiety1-hydroxy-2-unsubstituted benzenoidorganohalogen compoundiodobenzeneorganoiodideorganonitrogen compoundorganopnictogen compoundsecondary aliphatic amine2-iodophenolaromatic homopolycyclic compoundsecondary aminearyl halidetametraline2-halophenolorganic oxygen compoundphenolhydrocarbon derivativearyl iodideorganic nitrogen compoundhalobenzeneorganooxygen compoundamine |
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