| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:04:20 UTC |
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| Update Date | 2025-03-21 18:28:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00072530 |
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| Frequency | 41.2 |
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| Structure | |
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| Chemical Formula | C8H5NO |
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| Molecular Mass | 131.0371 |
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| SMILES | N#CC(=O)c1ccccc1 |
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| InChI Key | GJQBHOAJJGIPRH-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 | benzoyl derivatives |
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| Direct Parent | benzoyl derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | acyl cyanidesaryl ketoneshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compounds |
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| Substituents | nitrilebenzoylketonearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundacyl cyanideorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundcarbonitrileorganooxygen compoundaryl ketone |
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