| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:13:09 UTC |
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| Update Date | 2025-03-25 00:58:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02231353 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H11N |
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| Molecular Mass | 169.0891 |
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| SMILES | CC1CC=Cc2cc(C#N)ccc21 |
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| InChI Key | VGPABDARHGYBKX-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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