| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 02:38:58 UTC |
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| Update Date | 2025-03-21 21:54:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00435791 |
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| Frequency | 4.1 |
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| Structure | |
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| Chemical Formula | C10H11N |
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| Molecular Mass | 145.0891 |
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| SMILES | Cc1ccc(C(C)C#N)cc1 |
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| InChI Key | VELPKXLIEFPYNV-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | lipids and lipid-like molecules |
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| Class | prenol lipids |
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| Subclass | monoterpenoids |
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| Direct Parent | aromatic monoterpenoids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | hydrocarbon derivativesmonocyclic monoterpenoidsnitrilesorganonitrogen compoundsorganopnictogen compoundstoluenes |
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| Substituents | monocyclic benzene moietymonocyclic monoterpenoidnitrilep-cymenearomatic homomonocyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundtoluenecarbonitrilearomatic monoterpenoid |
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