| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:50:40 UTC |
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| Update Date | 2025-03-21 18:02:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00040112 |
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| Frequency | 86.3 |
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| Structure | |
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| Chemical Formula | C8H7N |
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| Molecular Mass | 117.0578 |
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| SMILES | Cc1cccc(C#N)c1 |
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| InChI Key | BOHCMQZJWOGWTA-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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