| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 02:00:31 UTC |
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| Update Date | 2025-03-21 20:10:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00344218 |
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| Frequency | 5.5 |
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| Structure | |
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| Chemical Formula | C9H9N |
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| Molecular Mass | 131.0735 |
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| SMILES | Cc1ccc(C#N)c(C)c1 |
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| InChI Key | QLZDTHTXOUOSCV-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 compoundsm-xylenes |
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| Substituents | nitrilem-xylenebenzonitrilearomatic homomonocyclic compoundxyleneorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundcarbonitrile |
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