| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:29 UTC |
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| Update Date | 2025-03-25 00:50:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02179607 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H15N3O3 |
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| Molecular Mass | 273.1113 |
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| SMILES | COc1ccc(NC=O)c(C(=O)Cc2cncn2C)c1 |
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| InChI Key | HRYQWHNSXGJCHZ-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 ethersanilidesanisolesaryl alkyl ketonesazacyclic compoundsbenzoyl derivativescarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesimidazolesmethoxybenzenesn-arylamidesn-substituted imidazolesorganic oxidesorganopnictogen compoundsphenoxy compoundssecondary carboxylic acid amidesvinylogous amides |
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| Substituents | phenol ethermonocyclic benzene moietyetheraryl alkyl ketonearomatic heteromonocyclic compoundbenzoyln-arylamidealkyl aryl ethercarboxylic acid derivativeorganic oxideimidazoleorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundazolen-substituted imidazolevinylogous amideazacycleheteroaromatic compoundcarboxamide groupmethoxybenzeneanilidesecondary carboxylic acid amideanisolehydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundalkyl-phenylketone |
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