| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:16:59 UTC |
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| Update Date | 2025-03-21 18:34:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00102938 |
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| Frequency | 26.4 |
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| Structure | |
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| Chemical Formula | C21H24N2 |
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| Molecular Mass | 304.1939 |
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| SMILES | CN(C)CCCC1(c2ccccc2)CCc2cc(C#N)ccc21 |
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| InChI Key | IBGWKLVMTTTWQB-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 | hydrocarbon derivativesindanesnitrilesorganopnictogen compoundstrialkylamines |
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| Substituents | nitriletertiary aliphatic aminearomatic homopolycyclic compoundphenylbutylamineindaneorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundaminecarbonitriletertiary amine |
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