| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:33 UTC |
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| Update Date | 2025-03-25 00:50:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02179747 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H13N3O2 |
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| Molecular Mass | 231.1008 |
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| SMILES | COc1ccccc1NC(=O)c1cncn1C |
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| InChI Key | MFVSAZWGNVQOFX-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 | anilides |
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| Direct Parent | aromatic anilides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-heteroaryl carboxamidesalkyl aryl ethersanisolesazacyclic compoundscarbonyl compoundscarbonylimidazolescarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesimidazolesmethoxybenzenesn-substituted imidazolesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundssecondary carboxylic acid amides |
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| Substituents | phenol ethercarbonyl groupetheraromatic heteromonocyclic compoundalkyl aryl ethercarboxylic acid derivative2-heteroaryl carboxamidearomatic anilideorganic oxideimidazoleorganonitrogen compoundorganopnictogen compoundimidazole-4-carbonyl grouporganoheterocyclic compoundazolen-substituted imidazoleazacycleheteroaromatic compoundcarboxamide groupmethoxybenzenesecondary carboxylic acid amideorganic oxygen compoundanisolehydrocarbon derivativeorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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