| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:54:56 UTC |
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| Update Date | 2025-03-21 18:04:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00050382 |
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| Frequency | 161.2 |
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| Structure | |
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| Chemical Formula | C9H6N2O3 |
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| Molecular Mass | 190.0378 |
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| SMILES | O=C(O)c1nc(=O)c2ccccc2[nH]1 |
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| InChI Key | KVXWXOHXKMKMTR-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 | azacyclic compoundsbenzenoidscarboxylic acidsdiazanaphthalenesheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyrimidinecarboxylic acidspyrimidonesvinylogous amides |
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| Substituents | pyrimidine-2-carboxylic acidvinylogous amidecarboxylic acidazacycleheteroaromatic compoundpyrimidonecarboxylic acid derivativepyrimidineorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundquinazolinepyrimidine-2-carboxylic acid or derivativesorganooxygen compound |
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