| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 08:44:28 UTC |
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| Update Date | 2025-03-25 00:24:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01309878 |
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| Frequency | 1.0 |
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| Structure | |
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| Chemical Formula | C8H8N2 |
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| Molecular Mass | 132.0687 |
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| SMILES | CNc1ccc(C#N)cc1 |
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| InChI Key | JEDXDYXIRZOEKG-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 derivativesnitrilesorganopnictogen compoundsphenylalkylaminessecondary alkylarylamines |
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| Substituents | nitrilesecondary aminebenzonitrilesecondary aliphatic/aromatic aminearomatic homomonocyclic compoundorganonitrogen compoundorganopnictogen compoundphenylalkylaminehydrocarbon derivativeorganic nitrogen compoundaminecarbonitrile |
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