| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:42 UTC |
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| Update Date | 2025-03-25 00:49:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02177845 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H4Cl3NO2 |
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| Molecular Mass | 250.9308 |
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| SMILES | COc1c(Cl)c(Cl)c(O)c(Cl)c1C#N |
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| InChI Key | XTVPKEWOHAIEIH-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 | 4-alkoxyphenolsalkyl aryl ethersanisolesaryl chloridesbenzonitrileschlorobenzeneshalophenolshydrocarbon derivativesm-chlorophenolsmethoxybenzenesnitrileso-chlorophenolsorganochloridesorganonitrogen compoundsorganopnictogen compoundsphenoxy compounds |
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| Substituents | phenol ethermonocyclic benzene moietyethernitrileorganochloridemethoxyphenolalkyl aryl etherorganohalogen compoundorganonitrogen compoundorganopnictogen compoundcarbonitrilearyl chloride2-chlorophenolchlorobenzene3-halophenol3-chlorophenol4-alkoxyphenolmethoxybenzenebenzonitrilearyl halidearomatic homomonocyclic compound2-halophenolorganic oxygen compoundanisolehydrocarbon derivativeorganic nitrogen compoundhalobenzenephenoxy compoundorganooxygen compound |
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