| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:48 UTC |
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| Update Date | 2025-03-25 00:51:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02187213 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H9Cl2N3O4 |
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| Molecular Mass | 280.997 |
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| SMILES | CC(=O)OC(c1cc(=O)[nH]c(N)n1)C(O)(Cl)Cl |
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| InChI Key | OGKIOWRFTPAIPC-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 | alcohols and polyolsalkyl chloridesamino acids and derivativesazacyclic compoundscarbonyl compoundscarboxylic acid estersheteroaromatic compoundshydrocarbon derivativeslactamsmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganopnictogen compoundsprimary amines |
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| Substituents | carbonyl grouplactamaromatic heteromonocyclic compoundamino acid or derivativesalkyl chlorideorganochloridepyrimidonecarboxylic acid derivativeorganohalogen compoundorganic oxideorganonitrogen compoundorganopnictogen compoundalkyl halidealcoholazacycleheteroaromatic compoundmonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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