| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:58:39 UTC |
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| Update Date | 2025-03-25 00:53:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02198116 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C20H17Cl3N2O4 |
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| Molecular Mass | 454.0254 |
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| SMILES | Oc1ccc(Cl)cc1OCC1COC(Cn2ccnc2)(c2ccc(Cl)c(Cl)c2)O1 |
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| InChI Key | AABFBXDSRDAPDP-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 | halobenzenes |
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| Direct Parent | dichlorobenzenes |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1,3-dioxolanes1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersaryl chloridesazacyclic compoundshalophenolsheteroaromatic compoundshydrocarbon derivativesimidazolesketalsn-substituted imidazolesorganochloridesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsp-chlorophenolsphenol ethersphenoxy compounds |
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| Substituents | phenol ethermeta-dioxolaneetheraromatic heteromonocyclic compoundorganochloride1-hydroxy-2-unsubstituted benzenoidalkyl aryl etherorganohalogen compound4-halophenolacetalimidazoleketalorganonitrogen compoundorganopnictogen compound1,2-dichlorobenzeneorganoheterocyclic compoundazolen-substituted imidazolearyl chlorideazacycle4-chlorophenolheteroaromatic compoundaryl halideoxacycleorganic oxygen compoundphenolhydrocarbon derivativeorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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