| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:09:04 UTC |
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| Update Date | 2025-03-21 18:31:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00083915 |
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| Frequency | 34.2 |
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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 | CC(C)(C)c1cccc(C#N)c1 |
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| InChI Key | YDWBCSZHGGMJAB-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 | phenylpropanes |
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| Direct Parent | phenylpropanes |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | benzonitrileshydrocarbon derivativesnitrilesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | phenylpropanearomatic homomonocyclic compoundnitrileorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundcarbonitrilebenzonitrile |
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