| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:08 UTC |
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| Update Date | 2025-03-25 00:59:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02235904 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H15NO2 |
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| Molecular Mass | 205.1103 |
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| SMILES | COc1cc(O)c(C(C)(C)C)cc1C#N |
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| InChI Key | ZLCYUBXDCYZWMC-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 compoundsphenylpropanes |
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| Substituents | phenol ethermonocyclic benzene moietyethernitrilemethoxyphenol1-hydroxy-2-unsubstituted benzenoidalkyl aryl ethermethoxybenzenebenzonitrilephenylpropanearomatic homomonocyclic compoundorganic oxygen compoundanisoleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundphenoxy compoundcarbonitrileorganooxygen compound |
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