| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:04 UTC |
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| Update Date | 2025-03-25 00:56:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02217677 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H21Cl2NO5 |
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| Molecular Mass | 413.0797 |
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| SMILES | CC1OC(Oc2cc(Cl)ccc2Oc2ccc(CCN)cc2Cl)C(O)C1O |
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| InChI Key | QLLTUHJXRYNFFR-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 heteromonocyclic compounds |
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| Alternative Parents | 1,2-diolsacetalsaryl chlorideschlorobenzenesdiarylethershydrocarbon derivativesmonoalkylaminesmonosaccharidesorganochloridesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsphenol ethersphenoxy compoundssecondary alcoholstetrahydrofurans |
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| Substituents | diaryl etherphenol etheretheraromatic heteromonocyclic compoundorganochloridemonosaccharideorganohalogen compoundsaccharideacetalorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compound1,2-diolaryl chloridechlorobenzenealcoholtetrahydrofuranaryl halideoxacycleorganic oxygen compoundsecondary alcoholhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundhalobenzenephenoxy compounddiphenyletherorganooxygen compound |
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