| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:18 UTC |
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| Update Date | 2025-03-25 01:01:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02250066 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H15N2+ |
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| Molecular Mass | 175.123 |
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| SMILES | C[N+](C)(C)Cc1ccc(C#N)cc1 |
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| InChI Key | UBKHHHWUFIUONV-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 | benzonitriles |
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| Direct Parent | benzonitriles |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | aralkylaminesbenzylamineshydrocarbon derivativesnitrilesorganic cationsorganic saltsorganopnictogen compoundsphenylmethylaminestetraalkylammonium salts |
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| Substituents | nitriletetraalkylammonium saltquaternary ammonium saltaralkylaminebenzonitrilearomatic homomonocyclic compoundphenylmethylaminebenzylamineorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic cationorganic saltaminecarbonitrile |
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