| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:04:25 UTC |
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| Update Date | 2025-03-25 00:55:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02211523 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H13N3O2 |
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| Molecular Mass | 279.1008 |
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| SMILES | CC(=O)Nc1ccc(Oc2ccnc3cccnc23)cc1 |
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| InChI Key | XFTGENSXQYMPKX-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | ethers |
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| Direct Parent | diarylethers |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 2-halopyridinesacetamidesacetanilidesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesmethylpyridinesn-acetylarylaminesnaphthyridinesorganic oxidesorganopnictogen compoundsphenol ethersphenoxy compoundspolyhalopyridinessecondary carboxylic acid amides |
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| Substituents | diaryl etherphenol ethermonocyclic benzene moietycarbonyl groupn-acetylarylaminepolyhalopyridinen-arylamidecarboxylic acid derivativeorganic oxidediazanaphthalenearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound2-halopyridineorganoheterocyclic compoundacetamidenaphthyridineazacycleacetanilideheteroaromatic compoundmethylpyridinecarboxamide groupanilidesecondary carboxylic acid amidepyridinehydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compound |
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