| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:27 UTC |
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| Update Date | 2025-03-25 00:56:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02220908 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C24H22Cl2O11 |
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| Molecular Mass | 556.0539 |
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| SMILES | O=C1CCC(Cc2ccc(Oc3ccc(Cl)cc3Cl)c(OC3OC(C(=O)O)C(O)C(O)C3C(=O)O)c2)O1 |
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| InChI Key | VNBNNMLZVPGDHY-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 chloridesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdiarylethersdichlorobenzenesgamma butyrolactoneshydrocarbon derivativesmonosaccharidesorganic oxidesorganochloridesoxacyclic compoundsoxanesphenol ethersphenoxy compoundspyran carboxylic acidssecondary alcoholstetrahydrofuranstricarboxylic acids and derivatives |
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| Substituents | diaryl etherphenol ethercarbonyl groupethercarboxylic acidaromatic heteromonocyclic compoundorganochloridemonosaccharidetricarboxylic acid or derivativescarboxylic acid derivativeorganohalogen compoundpyran carboxylic acid1,3-dichlorobenzenelactonebeta-hydroxy acidsaccharideorganic oxideacetaloxaneorganoheterocyclic compound1,2-diolaryl chloridechlorobenzenealcoholpyran carboxylic acid or derivativestetrahydrofuranhydroxy acidgamma butyrolactonearyl halideoxacycleorganic oxygen compoundpyrancarboxylic acid estersecondary alcoholhydrocarbon derivativehalobenzenephenoxy compounddiphenyletherorganooxygen compound |
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