| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:18 UTC |
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| Update Date | 2025-03-25 00:54:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02206497 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H18Cl3N2O3+ |
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| Molecular Mass | 403.0378 |
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| SMILES | NC(CCCC[n+]1ccc(Oc2ccc(Cl)cc2Cl)c(Cl)c1)C(=O)O |
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| InChI Key | SANFTLHBMNKBKB-UHFFFAOYSA-O |
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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 heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsaryl chloridesazacyclic compoundscarbonyl compoundscarboxylic acidsdichlorobenzeneshalogenated fatty acidsheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativeshydroxypyridinesmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundsphenol ethersphenoxy compoundspolyhalopyridines |
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| Substituents | diaryl etherfatty acylphenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundheterocyclic fatty acidorganochloridepolyhalopyridinefatty acidalpha-amino acid or derivativescarboxylic acid derivativeorganohalogen compoundmedium-chain hydroxy acid1,3-dichlorobenzeneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidorganic cationorganoheterocyclic compoundaryl chloridechlorobenzenehalogenated fatty acidazacycleheteroaromatic compoundhydroxypyridinearyl halidemonocarboxylic acid or derivativespyridinehydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundhalobenzenephenoxy compound |
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