| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 04:52:01 UTC |
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| Update Date | 2025-03-24 14:04:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00751393 |
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| Frequency | 2.0 |
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| Structure | |
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| Chemical Formula | C9H7NO |
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| Molecular Mass | 145.0528 |
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| SMILES | N#CC(O)=Cc1ccccc1 |
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| InChI Key | CESMNGVSFKOABH-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 | benzene and substituted derivatives |
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| Direct Parent | benzene and substituted derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha-hydroxynitrilescyanohydrinshydrocarbon derivativesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compounds |
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| Substituents | monocyclic benzene moietynitrilecyanohydrinaromatic homomonocyclic compoundorganic oxygen compoundalpha-hydroxynitrileorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundcarbonitrileorganooxygen compound |
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