| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:07:35 UTC |
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| Update Date | 2025-03-21 18:29:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00080424 |
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| Frequency | 36.1 |
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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 | CC(C)(C)c1cc(C#N)ccc1O |
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| InChI Key | WOQNZPYFQSOAJS-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 | 1-hydroxy-2-unsubstituted benzenoidsbenzonitrileshydrocarbon derivativesnitrilesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compounds |
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| Substituents | nitrile1-hydroxy-2-unsubstituted benzenoidbenzonitrilephenylpropanearomatic homomonocyclic compoundorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundphenolhydrocarbon derivativeorganic nitrogen compoundcarbonitrileorganooxygen compound |
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