| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:03:54 UTC |
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| Update Date | 2025-03-25 00:55:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02210297 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C22H24Cl3NO9 |
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| Molecular Mass | 551.0517 |
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| SMILES | CC(=O)NC1C(O)C(O)C(Oc2cc(Cl)ccc2Oc2ccc(Cl)cc2Cl)OC1C(O)C(O)CO |
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| InChI Key | LQULWURLQLLISI-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 | acetalsacetamidesaryl chloridescarbonyl compoundscarboxylic acids and derivativesdiarylethersdichlorobenzeneshydrocarbon derivativesmonosaccharidesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesphenol ethersphenoxy compoundsprimary alcoholssecondary alcoholssecondary carboxylic acid amides |
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| Substituents | diaryl etherphenol ethercarbonyl groupetheraromatic heteromonocyclic compoundorganochloridemonosaccharidecarboxylic acid derivativeorganohalogen compound1,3-dichlorobenzenesaccharideorganic oxideacetalorganonitrogen compoundorganopnictogen compoundoxaneprimary alcoholorganoheterocyclic compoundacetamidearyl chloridechlorobenzenealcoholcarboxamide grouparyl halideoxacyclesecondary carboxylic acid amideorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundhalobenzenephenoxy compounddiphenyletherorganooxygen compound |
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