| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:03:21 UTC |
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| Update Date | 2025-03-25 00:54:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02208963 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H11NO |
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| Molecular Mass | 173.0841 |
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| SMILES | CC(C)=C(C#N)c1ccc(O)cc1 |
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| InChI Key | LBGAQIGVTCIXGW-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 | phenols |
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| Subclass | 1-hydroxy-2-unsubstituted benzenoids |
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| Direct Parent | 1-hydroxy-2-unsubstituted benzenoids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | benzene and substituted derivativeshydrocarbon derivativesnitrilesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compounds |
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| Substituents | monocyclic benzene moietynitrile1-hydroxy-2-unsubstituted benzenoidaromatic homomonocyclic compoundorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundcarbonitrileorganooxygen compound |
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