| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:31 UTC |
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| Update Date | 2025-03-25 00:46:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02156941 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H8N2O3 |
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| Molecular Mass | 180.0535 |
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| SMILES | C=CC(=O)Cc1cc(=O)[nH]c(=O)[nH]1 |
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| InChI Key | PCWMQYWKIHLWLZ-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 | acryloyl compoundsazacyclic compoundsenonesheteroaromatic compoundshydrocarbon derivativesketoneslactamsorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsvinylogous amides |
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| Substituents | vinylogous amidecarbonyl groupcarbonic acid derivativelactamaromatic heteromonocyclic compoundazacycleheteroaromatic compoundpyrimidonealpha,beta-unsaturated ketoneketoneorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeacryloyl-grouporganic nitrogen compoundorganooxygen compoundenone |
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