| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 03:09:58 UTC |
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| Update Date | 2025-03-21 22:11:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00508999 |
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| Frequency | 3.3 |
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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 | N#Cc1cccc(CN)c1 |
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| InChI Key | XFKPORAVEUOIRF-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 derivativesmonoalkylaminesnitrilesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | aromatic homomonocyclic compoundnitrileorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundcarbonitrilebenzonitrile |
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