| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:57:01 UTC |
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| Update Date | 2025-03-21 18:05:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00055095 |
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| Frequency | 72.1 |
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| Structure | |
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| Chemical Formula | C8H8N2O |
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| Molecular Mass | 148.0637 |
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| SMILES | O=C1NCNc2ccccc21 |
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| InChI Key | XWWYZFUBBJHKSP-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 derivativesdiazanaphthaleneshydrocarbon derivativeslactamsorganic oxidesorganooxygen compoundsorganopnictogen compoundssecondary alkylarylaminessecondary carboxylic acid amidesvinylogous amides |
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| Substituents | vinylogous amidelactamazacycleamino acid or derivativessecondary aminecarboxamide groupcarboxylic acid derivativesecondary aliphatic/aromatic aminesecondary carboxylic acid amideorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundquinazolineorganooxygen compoundamine |
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