| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:08 UTC |
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| Update Date | 2025-03-25 00:45:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02151452 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H9NO |
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| Molecular Mass | 195.0684 |
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| SMILES | N#Cc1c(O)cccc1-c1ccccc1 |
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| InChI Key | KZHSBVRUCVMJPD-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 | biphenyls and derivatives |
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| Direct Parent | biphenylcarbonitriles |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsbenzonitrileshydrocarbon derivativesnitrilesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compounds |
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| Substituents | nitrile1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidbenzonitrilearomatic homomonocyclic compoundbiphenylcarbonitrileorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundphenolhydrocarbon derivativeorganic nitrogen compoundcarbonitrileorganooxygen compound |
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