| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:53:40 UTC |
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| Update Date | 2025-03-21 18:03:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00047366 |
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| Frequency | 70.4 |
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| Structure | |
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| Chemical Formula | C9H12ClN3O4 |
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| Molecular Mass | 261.0516 |
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| SMILES | Nc1ccn(C2OC(CO)C(Cl)C2O)c(=O)n1 |
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| InChI Key | VSOMXTUGQPZNAB-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 | alkyl chloridesazacyclic compoundschlorohydrinsheteroaromatic compoundshydrocarbon derivativesimidolactamsorganic carbonic acids and derivativesorganic oxidesorganochloridesorganopnictogen compoundsoxacyclic compoundsprimary alcoholsprimary aminessecondary alcoholstetrahydrofurans |
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| Substituents | chlorohydrinaromatic heteromonocyclic compoundalkyl chlorideorganochloridepyrimidoneorganohalogen compoundorganic oxideorganonitrogen compoundorganopnictogen compoundalkyl halideprimary alcoholimidolactamalcoholcarbonic acid derivativeazacycletetrahydrofuranhalohydrinheteroaromatic compoundoxacycleorganic oxygen compoundsecondary alcoholhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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