| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:07 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 | DMID02151420 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H5N3O |
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| Molecular Mass | 159.0433 |
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| SMILES | N#Cc1ccc(N)c(C#N)c1O |
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| InChI Key | GIHODSYBBCKFIX-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 | 1-hydroxy-4-unsubstituted benzenoidshydrocarbon derivativesnitrilesorganooxygen compoundsorganopnictogen compoundsprimary amines |
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| Substituents | nitrile1-hydroxy-4-unsubstituted benzenoidbenzonitrilearomatic homomonocyclic compoundorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundphenolhydrocarbon derivativeprimary amineorganic nitrogen compoundaminecarbonitrileorganooxygen compound |
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