| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:58:44 UTC |
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| Update Date | 2025-03-25 00:53:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02198340 |
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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(C)C)c(O)c1C#N |
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| InChI Key | GXYJAPRDWQQWOJ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | lipids and lipid-like molecules |
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| Class | prenol lipids |
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| Subclass | monoterpenoids |
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| Direct Parent | aromatic monoterpenoids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-4-unsubstituted benzenoidsbenzonitrilescumeneshydrocarbon derivativesmeta cresolsmonocyclic monoterpenoidsnitrilesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsphenylpropanestoluenes |
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| Substituents | monocyclic benzene moietymonocyclic monoterpenoidnitrilem-cresolp-cymene1-hydroxy-4-unsubstituted benzenoidbenzonitrilephenylpropanearomatic homomonocyclic compoundorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundphenolcumenehydrocarbon derivativebenzenoidorganic nitrogen compoundtoluenecarbonitrileorganooxygen compoundaromatic monoterpenoid |
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