| 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 | DMID02151416 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H15Cl2NO8 |
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| Molecular Mass | 455.0175 |
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| SMILES | N#Cc1ccc(Oc2ccc(Cl)cc2OC2C(O)OC(C(=O)O)C(O)C2O)c(Cl)c1 |
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| InChI Key | DSORIDAHYJULNY-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-diolsalkyl aryl ethersaryl chloridesbenzonitrilesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidschlorobenzenesdiarylethersglucuronic acid derivativeshemiacetalshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesnitrilesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesphenol ethersphenoxy compoundspyran carboxylic acidssecondary alcohols |
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| Substituents | diaryl etherphenol ethercarbonyl groupethernitrilecarboxylic acidglucuronic acid or derivativesaromatic heteromonocyclic compoundorganochloridemonosaccharidealkyl aryl ethercarboxylic acid derivativeorganohalogen compoundpyran carboxylic acidbeta-hydroxy acidsaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundhemiacetaloxanecarbonitrileorganoheterocyclic compound1,2-diolaryl chloridechlorobenzenealcoholpyran carboxylic acid or derivativeshydroxy acidbenzonitrilearyl halideoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundpyransecondary alcoholhydrocarbon derivativeorganic nitrogen compoundhalobenzenephenoxy compounddiphenyletherorganooxygen compound |
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