| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:12 UTC |
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| Update Date | 2025-03-25 00:46:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02153980 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H12N2O2 |
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| Molecular Mass | 216.0899 |
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| SMILES | COc1cccc(C(=O)Cn2ccnc2)c1 |
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| InChI Key | DRHNPEZLKVLENJ-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 | alkyl aryl ethersanisolesaryl alkyl ketonesazacyclic compoundsbenzoyl derivativesheteroaromatic compoundshydrocarbon derivativesimidazolesmethoxybenzenesn-substituted imidazolesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compounds |
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| Substituents | phenol ethermonocyclic benzene moietyetheraryl alkyl ketonearomatic heteromonocyclic compoundbenzoylalkyl aryl etherorganic oxideimidazoleorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundazolen-substituted imidazoleazacycleheteroaromatic compoundmethoxybenzeneanisolehydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundalkyl-phenylketone |
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