| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:03:14 UTC |
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| Update Date | 2025-03-25 00:54:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02208654 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H4Cl3NO2 |
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| Molecular Mass | 262.9308 |
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| SMILES | CC(=O)Oc1c(Cl)cc(Cl)c(Cl)c1C#N |
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| InChI Key | MFPCEFBKHNAMFL-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 | phenol esters |
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| Subclass | phenol esters |
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| Direct Parent | phenol esters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | aryl chloridesbenzonitrilescarbonyl compoundscarboxylic acid esterschlorobenzeneshydrocarbon derivativesmonocarboxylic acids and derivativesnitrilesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundsphenoxy compounds |
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| Substituents | monocyclic benzene moietycarbonyl groupnitrileorganochloridecarboxylic acid derivativeorganohalogen compoundorganic oxideorganonitrogen compoundorganopnictogen compoundcarbonitrilearyl chloridechlorobenzenebenzonitrilearyl halidearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterphenol esterhydrocarbon derivativeorganic nitrogen compoundhalobenzenephenoxy compoundorganooxygen compound |
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