| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:13 UTC |
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| Update Date | 2025-03-25 00:56:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02218022 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H13NO |
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| Molecular Mass | 175.0997 |
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| SMILES | Cc1ccc(C#N)c(C(C)C)c1O |
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| InChI Key | HJBREGNGQRDULG-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 | 1-hydroxy-4-unsubstituted benzenoidsbenzonitrileshydrocarbon derivativesnitrilesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsortho cresolsphenylpropanestoluenes |
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| Substituents | nitrile1-hydroxy-4-unsubstituted benzenoidbenzonitrilephenylpropanearomatic homomonocyclic compoundorganic oxygen compoundo-cresolorganonitrogen compoundorganopnictogen compoundphenolcumenehydrocarbon derivativeorganic nitrogen compoundtoluenecarbonitrileorganooxygen compound |
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