| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:07 UTC |
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| Update Date | 2025-03-25 00:45:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02151417 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H15Cl2NO6 |
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| Molecular Mass | 411.0276 |
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| SMILES | N#Cc1ccc(Oc2ccc(Cl)cc2OC2OC(CO)C(O)C2O)c(Cl)c1 |
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| InChI Key | ALFMZUZGMKKGJE-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 | acetalsaryl chloridesbenzonitrileschlorobenzenesdiarylethershydrocarbon derivativesmonosaccharidesnitrilesorganochloridesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsphenol ethersphenoxy compoundsprimary alcoholssecondary alcoholstetrahydrofurans |
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| Substituents | diaryl etherphenol etherethernitrilearomatic heteromonocyclic compoundorganochloridemonosaccharideorganohalogen compoundsaccharideacetalorganonitrogen compoundorganopnictogen compoundprimary alcoholcarbonitrileorganoheterocyclic compoundaryl chloridechlorobenzenealcoholtetrahydrofuranbenzonitrilearyl halideoxacycleorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundhalobenzenephenoxy compounddiphenyletherorganooxygen compound |
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