| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:21:27 UTC |
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| Update Date | 2025-03-21 18:37:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00113857 |
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| Frequency | 23.2 |
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| Structure | |
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| Chemical Formula | C7H3Cl2NO2 |
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| Molecular Mass | 202.9541 |
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| SMILES | N#Cc1c(O)cc(O)c(Cl)c1Cl |
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| InChI Key | AFUSETHVFFGGKX-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 | halobenzenes |
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| Direct Parent | dichlorobenzenes |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsaryl chloridesbenzonitrileshalophenolshydrocarbon derivativesm-chlorophenolsnitrileso-chlorophenolsorganochloridesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsp-chlorophenolsresorcinols |
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| Substituents | nitrileorganochloride1-hydroxy-2-unsubstituted benzenoidorganohalogen compoundresorcinol4-halophenolorganonitrogen compoundorganopnictogen compound1,2-dichlorobenzenecarbonitrilearyl chloride2-chlorophenol3-halophenol3-chlorophenol4-chlorophenolbenzonitrilearyl halidearomatic homomonocyclic compound2-halophenolorganic oxygen compoundphenolhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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