| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:50:12 UTC |
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| Update Date | 2025-03-21 18:02:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00039017 |
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| Frequency | 89.4 |
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| Structure | |
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| Chemical Formula | C20H18Cl2N2O3 |
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| Molecular Mass | 404.0694 |
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| SMILES | Clc1ccc(C2(Cn3ccnc3)OCC(COc3ccccc3)O2)c(Cl)c1 |
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| InChI Key | ULBMAQGEGSSJMC-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-dioxolanesalkyl aryl ethersaryl chloridesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidazolesketalsn-substituted imidazolesorganochloridesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsphenol ethersphenoxy compounds |
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| Substituents | phenol ethermeta-dioxolaneetheraromatic heteromonocyclic compoundorganochloridealkyl aryl etherorganohalogen compound1,3-dichlorobenzeneacetalimidazoleketalorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundazolen-substituted imidazolearyl chlorideazacycleheteroaromatic compoundaryl halideoxacycleorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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