| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:52:16 UTC |
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| Update Date | 2025-03-21 18:03:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00043972 |
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| Frequency | 86.6 |
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| Structure | |
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| Chemical Formula | C9H11ClN2O5 |
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| Molecular Mass | 262.0356 |
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| SMILES | O=c1ccn(C2OC(CO)C(Cl)C2O)c(=O)[nH]1 |
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| InChI Key | UCSUZFLOJSMXTE-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 derivativeslactamsorganic carbonic acids and derivativesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsprimary alcoholssecondary alcoholstetrahydrofuransvinylogous amides |
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| Substituents | lactamchlorohydrinaromatic heteromonocyclic compoundalkyl chlorideorganochloridepyrimidoneorganohalogen compoundorganic oxideorganonitrogen compoundorganopnictogen compoundalkyl halideprimary alcoholalcoholvinylogous amidecarbonic acid derivativeazacycletetrahydrofuranhalohydrinheteroaromatic compoundoxacycleorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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