| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:22:42 UTC |
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| Update Date | 2025-03-21 18:37:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00116904 |
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| Frequency | 29.9 |
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| Structure | |
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| Chemical Formula | C13H11N3O |
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| Molecular Mass | 225.0902 |
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| SMILES | O=C1NC(c2cccnc2)Nc2ccccc21 |
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| InChI Key | ZQROQEKRGLIYPL-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | diazanaphthalenes |
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| Subclass | benzodiazines |
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| Direct Parent | quinazolines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | amino acids and derivativesazacyclic compoundsbenzenoidscarboxylic acids and derivativesdiazanaphthalenesheteroaromatic compoundshydrocarbon derivativeslactamsorganic oxidesorganooxygen compoundsorganopnictogen compoundspyridines and derivativessecondary alkylarylaminessecondary carboxylic acid amidesvinylogous amides |
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| Substituents | lactamamino acid or derivativescarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundvinylogous amideazacycleheteroaromatic compoundsecondary aminecarboxamide groupsecondary aliphatic/aromatic aminesecondary carboxylic acid amidepyridineorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundquinazolineorganooxygen compoundamine |
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