| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:23 UTC |
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| Update Date | 2025-03-25 00:45:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02152011 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H7N3O |
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| Molecular Mass | 173.0589 |
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| SMILES | NC(=O)c1ncnc2ccccc12 |
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| InChI Key | CBFHHXZSENSSMA-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 | 2-heteroaryl carboxamidesazacyclic compoundsbenzenoidscarboxylic acids and derivativesdiazanaphthalenesheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsprimary carboxylic acid amidespyrimidinecarboxylic acids and derivatives |
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| Substituents | primary carboxylic acid amideazacycleheteroaromatic compoundcarboxamide groupcarboxylic acid derivative2-heteroaryl carboxamidepyrimidineorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundpyrimidine-6-carboxylic acid or derivativesquinazolineorganooxygen compound |
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