| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:02:55 UTC |
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| Update Date | 2025-03-21 18:07:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00069132 |
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| Frequency | 43.7 |
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| Structure | |
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| Chemical Formula | C6H6N2O3 |
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| Molecular Mass | 154.0378 |
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| SMILES | O=CCc1c[nH]c(=O)[nH]c1=O |
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| InChI Key | NZCBMXQXRSDNOR-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 | diazines |
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| Subclass | pyrimidines and pyrimidine derivatives |
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| Direct Parent | pyrimidones |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha-hydrogen aldehydesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeslactamsorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsvinylogous amides |
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| Substituents | vinylogous amidecarbonyl groupcarbonic acid derivativelactamaromatic heteromonocyclic compoundazacycleheteroaromatic compoundpyrimidonealdehydeorganic oxideorganic oxygen compoundalpha-hydrogen aldehydeorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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