| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 13:16:11 UTC |
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| Update Date | 2025-03-24 21:59:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01957628 |
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| Frequency | 0.6 |
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| Structure | |
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| Chemical Formula | C8H7N3 |
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| Molecular Mass | 145.064 |
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| SMILES | N#Cc1ccc(C(=N)N)cc1 |
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| InChI Key | QSIPUCNHTCLHBF-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 | amidinescarboximidamideshydrocarbon derivativesnitrilesorganopnictogen compounds |
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| Substituents | nitrileamidinecarboximidamidebenzonitrilearomatic homomonocyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundcarbonitrile |
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