| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:34:15 UTC |
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| Update Date | 2025-03-21 18:45:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00143867 |
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| Frequency | 17.1 |
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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 | CC(C)c1cccc(C#N)c1 |
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| InChI Key | LWYFMTMRWRGREZ-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 compoundsphenylpropanes |
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| Substituents | nitrilebenzonitrilephenylpropanearomatic homomonocyclic compoundorganonitrogen compoundorganopnictogen compoundcumenehydrocarbon derivativeorganic nitrogen compoundcarbonitrile |
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