| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:59:58 UTC |
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| Update Date | 2025-03-21 18:06:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00062130 |
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| Frequency | 50.0 |
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| Structure | |
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| Chemical Formula | C18H15Cl3O7 |
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| Molecular Mass | 447.9883 |
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| SMILES | O=C(O)C1OC(Oc2cc(Cl)ccc2Oc2ccc(Cl)cc2Cl)CC(O)C1O |
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| InChI Key | JXLQBGNKIZNSAV-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 acidsdiarylethersdichlorobenzeneshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganochloridesoxacyclic compoundsoxanesphenol ethersphenoxy compoundspyran carboxylic acidssecondary alcohols |
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| Substituents | diaryl etherphenol ethercarbonyl groupethercarboxylic acidaromatic heteromonocyclic compoundorganochloridemonosaccharidecarboxylic acid derivativeorganohalogen compoundpyran carboxylic acid1,3-dichlorobenzenebeta-hydroxy acidsaccharideorganic oxideacetaloxaneorganoheterocyclic compound1,2-diolaryl chloridechlorobenzenealcoholpyran carboxylic acid or derivativeshydroxy acidaryl halideoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundpyransecondary alcoholhydrocarbon derivativehalobenzenephenoxy compounddiphenyletherorganooxygen compound |
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