| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:12:45 UTC |
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| Update Date | 2025-03-21 18:32:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00092578 |
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| Frequency | 30.2 |
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| Structure | |
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| Chemical Formula | C8H7NO |
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| Molecular Mass | 133.0528 |
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| SMILES | COc1cccc(C#N)c1 |
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| InChI Key | KLXSUMLEPNAZFK-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 | phenol ethers |
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| Subclass | anisoles |
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| Direct Parent | anisoles |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersbenzonitrileshydrocarbon derivativesmethoxybenzenesnitrilesorganonitrogen compoundsorganopnictogen compoundsphenoxy compounds |
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| Substituents | monocyclic benzene moietyethernitrilealkyl aryl ethermethoxybenzenebenzonitrilearomatic homomonocyclic compoundorganic oxygen compoundanisoleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundphenoxy compoundcarbonitrileorganooxygen compound |
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