| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:49:47 UTC |
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| Update Date | 2025-03-21 18:02:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00038046 |
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| Frequency | 92.1 |
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| Structure | |
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| Chemical Formula | C8H7NO2 |
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| Molecular Mass | 149.0477 |
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| SMILES | COc1cc(C#N)ccc1O |
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| InChI Key | QJRWLNLUIAJTAD-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 | methoxyphenols |
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| Direct Parent | methoxyphenols |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersanisolesbenzonitrileshydrocarbon derivativesmethoxybenzenesnitrilesorganonitrogen compoundsorganopnictogen compoundsphenoxy compounds |
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| Substituents | phenol ethermonocyclic benzene moietyethernitrile1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl ethermethoxybenzenebenzonitrilearomatic homomonocyclic compoundorganic oxygen compoundanisoleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundphenoxy compoundcarbonitrileorganooxygen compound |
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