| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:17:07 UTC |
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| Update Date | 2025-03-25 00:59:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02240358 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H12N4O4 |
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| Molecular Mass | 288.0859 |
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| SMILES | NC(Cc1c[nH]c2cc3[nH]c(=O)[nH]c(=O)c3cc12)C(=O)O |
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| InChI Key | OTXMUHXXLYFLFR-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 | alpha amino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsdiazanaphthalenesheteroaromatic compoundshydrocarbon derivativesindoleslactamsmonoalkylaminesmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrimidonespyrrolesvinylogous amides |
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| Substituents | carbonyl grouplactamcarboxylic acidindolepyrimidonealpha-amino acid or derivativescarboxylic acid derivativepyrimidineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundvinylogous amidecarbonic acid derivativeazacycleheteroaromatic compoundindole or derivativesmonocarboxylic acid or derivativesorganic oxygen compoundpyrrolehydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundquinazolineorganooxygen compound |
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