| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:13 UTC |
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| Update Date | 2025-03-25 00:56:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02218008 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H3Cl2NO3S |
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| Molecular Mass | 250.9211 |
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| SMILES | N#Cc1cc(S(=O)O)c(Cl)c(Cl)c1O |
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| InChI Key | ZHYWRYFPKUVJPQ-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 | aryl chloridesbenzonitrileshalophenolshydrocarbon derivativesm-chlorophenolsnitrileso-chlorophenolsorganic oxidesorganochloridesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsorganosulfur compoundssulfinic acids |
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| Substituents | nitrileorganochloridesulfinic acid derivativeorganosulfur compoundorganohalogen compoundsulfinic acidorganic oxideorganonitrogen compoundorganopnictogen compound1,2-dichlorobenzenecarbonitrilearyl chloride2-chlorophenol3-halophenol3-chlorophenolbenzonitrilearyl halidearomatic homomonocyclic compound2-halophenolorganic oxygen compoundphenolhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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