| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:22 UTC |
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| Update Date | 2025-03-25 00:50:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02183864 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H18Cl2N4O3 |
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| Molecular Mass | 408.0756 |
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| SMILES | OC(Cn1ccnc1)C1COC(Cn2ccnc2)(c2ccc(Cl)cc2Cl)O1 |
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| InChI Key | PEMMACTWSUCOHE-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-dioxolanesaryl chloridesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidazolesketalsn-substituted imidazolesorganochloridesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundssecondary alcohols |
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| Substituents | meta-dioxolanearomatic heteromonocyclic compoundorganochlorideorganohalogen compound1,3-dichlorobenzeneacetalimidazoleketalorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundazolen-substituted imidazolearyl chloridealcoholazacycleheteroaromatic compoundaryl halideoxacycleorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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