| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:50 UTC |
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| Update Date | 2025-03-25 00:57:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02224095 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H8Cl2N2O |
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| Molecular Mass | 254.0014 |
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| SMILES | O=C(Cn1ccnc1)c1ccc(Cl)cc1Cl |
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| InChI Key | YAEYBUZMILPYLT-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 | carbonyl compounds |
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| Direct Parent | alkyl-phenylketones |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | aryl alkyl ketonesaryl chloridesazacyclic compoundsbenzoyl derivativesdichlorobenzenesheteroaromatic compoundshydrocarbon derivativesimidazolesn-substituted imidazolesorganic oxidesorganochloridesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsvinylogous halides |
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| Substituents | monocyclic benzene moietyaryl alkyl ketonearomatic heteromonocyclic compoundorganochloridebenzoylorganohalogen compound1,3-dichlorobenzeneorganic oxideimidazoleorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundazolen-substituted imidazolearyl chloridechlorobenzeneazacycleheteroaromatic compoundvinylogous halidearyl halidehydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzenealkyl-phenylketone |
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