| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:30:12 UTC |
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| Update Date | 2025-03-21 18:41:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00134510 |
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| Frequency | 18.7 |
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| Structure | |
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| Chemical Formula | C13H9N |
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| Molecular Mass | 179.0735 |
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| SMILES | N#Cc1ccc(-c2ccccc2)cc1 |
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| InChI Key | BPMBNLJJRKCCRT-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 compounds |
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| Substituents | aromatic homomonocyclic compoundnitrileorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundcarbonitrilebenzonitrile |
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