| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:48:56 UTC |
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| Update Date | 2025-03-21 18:02:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00035985 |
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| Frequency | 98.6 |
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| Structure | |
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| Chemical Formula | C7H5NO2 |
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| Molecular Mass | 135.032 |
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| SMILES | N#Cc1ccc(O)cc1O |
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| InChI Key | JFZAJWBGISKERI-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 | benzenediols |
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| Direct Parent | resorcinols |
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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 | monocyclic benzene moietynitrile1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidbenzonitrileresorcinolaromatic homomonocyclic compoundorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundcarbonitrileorganooxygen compound |
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