| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:30:08 UTC |
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| Update Date | 2025-03-21 18:41:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00134359 |
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| Frequency | 18.7 |
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| Structure | |
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| Chemical Formula | C12H8N4O4 |
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| Molecular Mass | 272.0546 |
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| SMILES | O=C(O)Cn1c2nc(=O)[nH]c(=O)c-2nc2ccccc21 |
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| InChI Key | VJYGDVQETYJFSW-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 | pteridines and derivatives |
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| Subclass | alloxazines and isoalloxazines |
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| Direct Parent | alloxazines and isoalloxazines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alpha amino acids and derivativesazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsdiazanaphthalenesheteroaromatic compoundshydrocarbon derivativeslactamsmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrazinespyrimidonesquinoxalines |
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| Substituents | carbonyl grouplactamcarboxylic acidpyrimidonealpha-amino acid or derivativescarboxylic acid derivativeisoalloxazinepyrimidineorganic oxidediazanaphthalenearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundquinoxalinecarbonic acid derivativeazacycleheteroaromatic compoundmonocarboxylic acid or derivativesorganic oxygen compoundpyrazinehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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