| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:31 UTC |
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| Update Date | 2025-03-25 00:59:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02236740 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H11NO3 |
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| Molecular Mass | 241.0739 |
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| SMILES | COc1cc(C#N)ccc1Oc1ccc(O)cc1 |
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| InChI Key | KPGQBIJQSSCICN-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 | diphenylethers |
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| Direct Parent | diphenylethers |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersanisolesbenzonitrilesdiarylethershydrocarbon derivativesmethoxybenzenesnitrilesorganonitrogen compoundsorganopnictogen compoundsphenoxy compounds |
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| Substituents | diaryl etherphenol etherethernitrile1-hydroxy-2-unsubstituted benzenoidalkyl aryl ethermethoxybenzenebenzonitrilearomatic homomonocyclic compoundorganic oxygen compoundanisoleorganonitrogen compoundorganopnictogen compoundphenolhydrocarbon derivativeorganic nitrogen compoundphenoxy compounddiphenylethercarbonitrileorganooxygen compound |
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