| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:13:25 UTC |
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| Update Date | 2025-03-21 18:33:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00094216 |
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| Frequency | 29.5 |
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| Structure | |
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| Chemical Formula | C14H11N |
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| Molecular Mass | 193.0891 |
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| SMILES | Cc1ccc(-c2ccc(C#N)cc2)cc1 |
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| InChI Key | QIBWMVSMTSYUSK-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 | hydrocarbon derivativesnitrilesorganonitrogen compoundsorganopnictogen compoundstoluenes |
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| Substituents | aromatic homomonocyclic compoundnitrileorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundtoluenecarbonitrilebenzonitrile |
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