| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:17:14 UTC |
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| Update Date | 2025-03-21 18:35:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00103555 |
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| Frequency | 26.2 |
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| Structure | |
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| Chemical Formula | C12H9N |
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| Molecular Mass | 167.0735 |
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| SMILES | Cc1ccc2ccc(C#N)cc2c1 |
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| InChI Key | XEJYIXSQJAMFDO-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 | naphthalenes |
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| Subclass | naphthalenes |
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| Direct Parent | naphthalenes |
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| Geometric Descriptor | aromatic homopolycyclic compounds |
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| Alternative Parents | hydrocarbon derivativesnitrilesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | nitrilenaphthaleneorganonitrogen compoundorganopnictogen compoundaromatic homopolycyclic compoundhydrocarbon derivativeorganic nitrogen compoundcarbonitrile |
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