| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:17 UTC |
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| Update Date | 2025-03-25 01:01:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02252336 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H18Cl2N4O3 |
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| Molecular Mass | 420.0756 |
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| SMILES | Nc1ccc(OCC2COC(Cn3ccnc3)(c3ccc(Cl)cc3Cl)O2)cn1 |
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| InChI Key | MHKUBLLTIULQKT-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-dioxolanes2-halopyridinesalkyl aryl ethersaryl chloridesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamsketalsn-substituted imidazolesorganochloridesorganopnictogen compoundsoxacyclic compoundspolyhalopyridinesprimary aminespyridines and derivatives |
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| Substituents | meta-dioxolaneetheraromatic heteromonocyclic compoundpolyhalopyridineorganochloridealkyl aryl etherorganohalogen compound1,3-dichlorobenzeneacetalimidazoleketalorganonitrogen compoundorganopnictogen compound2-halopyridineimidolactamorganoheterocyclic compoundazolen-substituted imidazolearyl chlorideazacycleheteroaromatic compoundaryl halideoxacyclepyridineorganic oxygen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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