| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:25:36 UTC |
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| Update Date | 2025-03-21 18:39:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00123721 |
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| Frequency | 20.8 |
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| Structure | |
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| Chemical Formula | C11H12N2 |
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| Molecular Mass | 172.1 |
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| SMILES | CN1CCc2cc(C#N)ccc2C1 |
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| InChI Key | MDHZDRQLHVOJKN-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | tetrahydroisoquinolines |
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| Subclass | tetrahydroisoquinolines |
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| Direct Parent | tetrahydroisoquinolines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | aralkylaminesazacyclic compoundsbenzenoidshydrocarbon derivativesnitrilesorganopnictogen compoundstrialkylamines |
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| Substituents | nitrileazacycletertiary aliphatic aminearalkylaminearomatic heteropolycyclic compoundorganonitrogen compoundtetrahydroisoquinolineorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundaminecarbonitriletertiary amine |
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