| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 06:56:39 UTC |
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| Update Date | 2025-03-24 19:49:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01050130 |
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| Frequency | 1.3 |
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| Structure | |
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| Chemical Formula | C9H5N |
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| Molecular Mass | 127.0422 |
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| SMILES | C#Cc1ccc(C#N)cc1 |
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| InChI Key | LAGNMUUUMQJXBF-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 | acetylideshydrocarbon derivativesnitrilesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | aromatic homomonocyclic compoundnitrileacetylideorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundcarbonitrilebenzonitrile |
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