| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:11 UTC |
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| Update Date | 2025-03-25 00:45:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02151558 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C25H25Cl2N5O3 |
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| Molecular Mass | 513.1334 |
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| SMILES | Cn1cncc1CNc1ccc(OCC2COC(Cn3ccnc3)(c3ccc(Cl)cc3Cl)O2)cc1 |
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| InChI Key | NLIUYFNYDSDUBO-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 imidazolesorganochloridesorganopnictogen compoundsoxacyclic compoundsphenol ethersphenoxy compoundsphenylalkylaminessecondary alkylarylamines |
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| Substituents | phenol ethermeta-dioxolaneetheraromatic heteromonocyclic compoundorganochloridealkyl aryl etherorganohalogen compound1,3-dichlorobenzeneacetalimidazoleketalorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundazolen-substituted imidazolearyl chlorideazacycleheteroaromatic compoundsecondary aminesecondary aliphatic/aromatic aminearyl halideoxacycleorganic oxygen compoundphenylalkylaminehydrocarbon derivativeorganic nitrogen compoundphenoxy compoundamineorganooxygen compound |
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