| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:29 UTC |
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| Update Date | 2025-03-25 00:49:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02177350 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H13N |
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| Molecular Mass | 159.1048 |
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| SMILES | Cc1cccc(C(C)C)c1C#N |
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| InChI Key | BNZIOEMEINSGNF-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 | cumenes |
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| Direct Parent | cumenes |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | benzonitrileshydrocarbon derivativesnitrilesorganonitrogen compoundsorganopnictogen compoundsphenylpropanestoluenes |
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| Substituents | nitrilebenzonitrilephenylpropanearomatic homomonocyclic compoundorganonitrogen compoundorganopnictogen compoundcumenehydrocarbon derivativeorganic nitrogen compoundtoluenecarbonitrile |
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