| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:04:08 UTC |
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| Update Date | 2025-03-21 18:28:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00072042 |
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| Frequency | 41.5 |
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| Structure | |
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| Chemical Formula | C15H21NO |
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| Molecular Mass | 231.1623 |
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| SMILES | CC(C)(C)c1cc(C#N)cc(C(C)(C)C)c1O |
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| InChI Key | AKXIIOLURNATOC-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 compoundsorganooxygen compoundsorganopnictogen compoundsphenols |
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| Substituents | nitrilebenzonitrilephenylpropanearomatic homomonocyclic compoundorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundphenolhydrocarbon derivativeorganic nitrogen compoundcarbonitrileorganooxygen compound |
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