| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:17 UTC |
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| Update Date | 2025-03-25 00:56:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02218183 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C20H19N3 |
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| Molecular Mass | 301.1579 |
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| SMILES | N#Cc1ccc(C2(CCCN)CCc3cc(C#N)ccc32)cc1 |
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| InChI Key | UIZXSDJCEPFIQO-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 | benzonitrileshydrocarbon derivativesindanesmonoalkylaminesnitrilesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | nitrilearomatic homopolycyclic compoundbenzonitrilephenylbutylamineindaneorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundcarbonitrile |
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