| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:24:53 UTC |
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| Update Date | 2025-03-21 18:38:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00122096 |
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| Frequency | 21.2 |
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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=c1[nH]cc(C2OC(CCl)C(O)C2O)c(=O)[nH]1 |
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| InChI Key | PFALKDPZOKYCOI-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 | 1,2-diolsalkyl chloridesazacyclic compoundsdialkyl ethersheteroaromatic compoundshydrocarbon derivativeslactamsmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundssecondary alcoholstetrahydrofuransvinylogous amides |
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| Substituents | etherlactamaromatic heteromonocyclic compoundalkyl chlorideorganochloridemonosaccharidepyrimidoneorganohalogen compounddialkyl ethersaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundalkyl halide1,2-diolalcoholvinylogous amidecarbonic acid derivativeazacycletetrahydrofuranheteroaromatic compoundoxacycleorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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