| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:00:44 UTC |
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| Update Date | 2025-03-21 18:06:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00063878 |
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| Frequency | 48.2 |
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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)cc1C |
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| InChI Key | OWISXYQFTOYGRO-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 compoundso-xylenes |
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| Substituents | nitrilebenzonitrilearomatic homomonocyclic compoundxyleneo-xyleneorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundcarbonitrile |
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