| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:39:06 UTC |
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| Update Date | 2025-03-21 17:58:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00013418 |
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| Frequency | 333.4 |
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| Structure | |
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| Chemical Formula | C18H17Cl3O7 |
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| Molecular Mass | 450.004 |
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| SMILES | OCC1OC(Oc2cc(Cl)ccc2Oc2ccc(Cl)cc2Cl)C(O)C(O)C1O |
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| InChI Key | WJZNZKHWJVFUPQ-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 chloridesdiarylethersdichlorobenzeneshydrocarbon derivativesmonosaccharidesorganochloridesoxacyclic compoundsoxanesphenol ethersphenoxy compoundsprimary alcoholssecondary alcohols |
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| Substituents | diaryl etherphenol etheretheraromatic heteromonocyclic compoundorganochloridemonosaccharideorganohalogen compound1,3-dichlorobenzenesaccharideacetaloxaneprimary alcoholorganoheterocyclic compoundaryl chloridechlorobenzenealcoholaryl halideoxacycleorganic oxygen compoundsecondary alcoholhydrocarbon derivativehalobenzenephenoxy compounddiphenyletherorganooxygen compound |
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