| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:08 UTC |
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| Update Date | 2025-03-25 00:53:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02201566 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H6N2O |
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| Molecular Mass | 158.048 |
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| SMILES | Cc1cc(C#N)cc(C#N)c1O |
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| InChI Key | UOOGEDJGIOVIPH-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 | benzonitrileshydrocarbon derivativesnitrilesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsphenolstoluenes |
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| Substituents | monocyclic benzene moietynitrilebenzonitrilearomatic homomonocyclic compoundorganic oxygen compoundo-cresolorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundtoluenecarbonitrileorganooxygen compound |
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