| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:15 UTC |
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| Update Date | 2025-03-25 00:45:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02151700 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H9Cl3O2 |
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| Molecular Mass | 313.9668 |
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| SMILES | Clc1ccc(Oc2ccc(Cl)c3c2CCO3)c(Cl)c1 |
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| InChI Key | WDNAOKBOTOEXLP-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | ethers |
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| Direct Parent | diarylethers |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl aryl ethersaryl chloridescoumaransdichlorobenzeneshydrocarbon derivativesorganochloridesoxacyclic compoundsphenol ethersphenoxy compounds |
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| Substituents | aryl chloridechlorobenzenediaryl etherphenol ethermonocyclic benzene moietyorganochloridealkyl aryl etherorganohalogen compoundaryl halide1,3-dichlorobenzeneoxacyclearomatic heteropolycyclic compoundhydrocarbon derivativebenzenoidhalobenzenephenoxy compoundorganoheterocyclic compoundcoumaran |
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