| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:17:11 UTC |
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| Update Date | 2025-03-21 18:34:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00103430 |
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| Frequency | 26.3 |
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| Structure | |
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| Chemical Formula | C18H20Cl3NO3 |
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| Molecular Mass | 403.0509 |
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| SMILES | CC(C)NCC(O)COc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl |
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| InChI Key | XSZCYZREZTXKRS-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 ethersaryl chloridesdialkylaminesdiarylethersdichlorobenzeneshydrocarbon derivativesorganochloridesorganopnictogen compoundsphenol ethersphenoxy compoundssecondary alcohols |
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| Substituents | diaryl etherphenol etheretherorganochloridealkyl aryl etherorganohalogen compound1,3-dichlorobenzeneorganonitrogen compoundorganopnictogen compoundaryl chloridechlorobenzenealcoholsecondary aliphatic aminesecondary aminearyl halidearomatic homomonocyclic compoundorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundhalobenzenephenoxy compounddiphenyletherorganooxygen compoundamine |
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