| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:18 UTC |
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| Update Date | 2025-03-25 00:59:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02236257 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H5Cl2NO2 |
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| Molecular Mass | 216.9697 |
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| SMILES | COc1c(O)cc(C#N)c(Cl)c1Cl |
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| InChI Key | QZICGPVCGJZCBT-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 ethersanisolesaryl chloridesbenzonitrilesdichlorobenzeneshalophenolshydrocarbon derivativesm-chlorophenolsmethoxybenzenesnitrilesorganochloridesorganonitrogen compoundsorganopnictogen compoundsp-chlorophenolsphenoxy compounds |
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| Substituents | phenol ethermonocyclic benzene moietyethernitrileorganochloride1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl etherorganohalogen compound4-halophenolorganonitrogen compoundorganopnictogen compound1,2-dichlorobenzenecarbonitrilearyl chloridechlorobenzene3-halophenol3-chlorophenol4-chlorophenolmethoxybenzenebenzonitrilearyl halidearomatic homomonocyclic compoundorganic oxygen compoundanisolehydrocarbon derivativeorganic nitrogen compoundhalobenzenephenoxy compoundorganooxygen compound |
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