| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:42 UTC |
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| Update Date | 2025-03-25 00:53:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02202818 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H11Cl2NO3 |
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| Molecular Mass | 335.0116 |
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| SMILES | O=C(O)Cc1c[nH]c2c(Oc3ccc(Cl)cc3Cl)cccc12 |
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| InChI Key | LQKLRCZWCRYMRP-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 | aryl chloridesazacyclic compoundscarbonyl compoundscarboxylic acidsdichlorobenzenesheteroaromatic compoundshydrocarbon derivativesindolesmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundsphenol ethersphenoxy compoundspyrroles |
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| Substituents | diaryl etherphenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidindoleorganochloridecarboxylic acid derivativeorganohalogen compound1,3-dichlorobenzeneorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundaryl chloridechlorobenzeneazacycleheteroaromatic compoundindole or derivativesaryl halidemonocarboxylic acid or derivativespyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzenephenoxy compound |
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