| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:05 UTC |
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| Update Date | 2025-03-25 00:45:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02151331 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H9NO |
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| Molecular Mass | 147.0684 |
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| SMILES | N#Cc1cccc(CCO)c1 |
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| InChI Key | SDFBOAJVHGKEAO-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 | benzonitriles |
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| Direct Parent | benzonitriles |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alcohols and polyolshydrocarbon derivativesnitrilesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | alcoholnitrilebenzonitrilearomatic homomonocyclic compoundorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundcarbonitrileorganooxygen compound |
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