| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:15:24 UTC |
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| Update Date | 2025-03-21 18:34:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00099035 |
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| Frequency | 27.7 |
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| Structure | |
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| Chemical Formula | C6H5N3O3 |
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| Molecular Mass | 167.0331 |
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| SMILES | Cn1c(=O)[nH]c(=O)c2ocnc21 |
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| InChI Key | YKDUZIMFZKAUSP-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 heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativeslactamsorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsoxacyclic compoundsoxazolesvinylogous amides |
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| Substituents | vinylogous amidecarbonic acid derivativelactamazacycleheteroaromatic compoundoxazolepyrimidoneoxacycleorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundazole |
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