| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:38 UTC |
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| Update Date | 2025-03-25 00:50:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02182231 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H13Cl3O8 |
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| Molecular Mass | 449.9676 |
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| SMILES | O=C(O)C1OC(O)(Oc2cc(Cl)ccc2Oc2ccc(Cl)cc2Cl)C(O)C1O |
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| InChI Key | RCCUSUXUGSTMOM-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-diolsaryl chloridesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdiarylethersdichlorobenzeneshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganochloridesorthocarboxylic acid derivativesoxacyclic compoundsphenol ethersphenoxy compoundssecondary alcoholstetrahydrofurans |
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| Substituents | diaryl etherphenol ethercarbonyl groupethercarboxylic acidaromatic heteromonocyclic compoundorganochloridemonosaccharidecarboxylic acid derivativeorganohalogen compound1,3-dichlorobenzenebeta-hydroxy acidsaccharideorganic oxideorthocarboxylic acid derivativeorganoheterocyclic compound1,2-diolaryl chloridechlorobenzenealcoholtetrahydrofuranhydroxy acidaryl halideoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativehalobenzenephenoxy compounddiphenyletherorganooxygen compound |
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