| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:55 UTC |
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| Update Date | 2025-03-25 00:50:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02180628 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H7NO3 |
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| Molecular Mass | 165.0426 |
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| SMILES | COc1cc(O)c(O)cc1C#N |
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| InChI Key | ARTGCPMPMLVDNH-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 benzenoids4-alkoxyphenolsalkyl aryl ethersanisolesbenzonitrileshydrocarbon derivativesmethoxybenzenesnitrilesorganonitrogen compoundsorganopnictogen compoundsphenoxy compounds |
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| Substituents | phenol ethermonocyclic benzene moiety4-alkoxyphenolethernitrilemethoxyphenol1-hydroxy-2-unsubstituted benzenoidalkyl aryl ethermethoxybenzenebenzonitrilearomatic homomonocyclic compoundorganic oxygen compoundanisoleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundphenoxy compoundcarbonitrileorganooxygen compound |
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