| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:56:44 UTC |
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| Update Date | 2025-03-25 00:52:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02193754 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C21H23IN2 |
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| Molecular Mass | 430.0906 |
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| SMILES | CN(C)CCCC1(c2ccc(I)cc2)CCc2cc(C#N)ccc21 |
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| InChI Key | NVHCCOJDKOZNLN-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 | phenylbutylamines |
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| Direct Parent | phenylbutylamines |
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| Geometric Descriptor | aromatic homopolycyclic compounds |
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| Alternative Parents | aryl iodideshydrocarbon derivativesindanesiodobenzenesnitrilesorganoiodidesorganopnictogen compoundstrialkylamines |
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| Substituents | nitriletertiary aliphatic aminearomatic homopolycyclic compoundorganohalogen compoundiodobenzeneorganoiodidearyl halidephenylbutylamineindaneorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativearyl iodideorganic nitrogen compoundhalobenzeneaminecarbonitriletertiary amine |
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