| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:53:37 UTC |
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| Update Date | 2025-03-21 18:03:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00047269 |
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| Frequency | 70.5 |
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| Structure | |
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| Chemical Formula | C8H7NO |
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| Molecular Mass | 133.0528 |
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| SMILES | Cc1cc(C#N)ccc1O |
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| InChI Key | WTTADDGUHFYGEH-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 | cresols |
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| Direct Parent | ortho cresols |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsbenzonitrileshydrocarbon derivativesnitrilesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundstoluenes |
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| Substituents | monocyclic benzene moietynitrile1-hydroxy-2-unsubstituted benzenoidbenzonitrilearomatic homomonocyclic compoundorganic oxygen compoundo-cresolorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundtoluenecarbonitrileorganooxygen compound |
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