| Record Information |
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| HMDB Status | detected |
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| Creation Date | 2024-02-20 23:37:25 UTC |
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| Update Date | 2025-03-21 17:57:40 UTC |
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| HMDB ID | HMDB0254618 |
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| Metabolite Identification |
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| DeepMet ID | DMID00009457 |
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| Name | Methyl triclosan |
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| Frequency | 509.3 |
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| Structure | |
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| Chemical Formula | C13H9Cl3O2 |
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| Molecular Mass | 301.9668 |
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| SMILES | COc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl |
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| InChI Key | NLYDHBBTVWMLFD-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 | diphenylethers |
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| Direct Parent | diphenylethers |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersanisolesaryl chloridesdiarylethersdichlorobenzeneshydrocarbon derivativesmethoxybenzenesorganochloridesphenoxy compounds |
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| Substituents | aryl chloridechlorobenzenediaryl etherphenol etheretherorganochloridealkyl aryl etherorganohalogen compoundmethoxybenzenearyl halide1,3-dichlorobenzenearomatic homomonocyclic compoundorganic oxygen compoundanisolehydrocarbon derivativehalobenzenephenoxy compounddiphenyletherorganooxygen compound |
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