| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:19:44 UTC |
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| Update Date | 2025-03-21 18:36:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00109715 |
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| Frequency | 24.4 |
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| Structure | |
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| Chemical Formula | C5H6N2O6S |
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| Molecular Mass | 221.9947 |
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| SMILES | O=c1[nH]cc(COS(=O)(=O)O)c(=O)[nH]1 |
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| InChI Key | BGHXVOYNHVCLLY-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 sulfatesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeslactamsorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundssulfuric acid monoestersvinylogous amides |
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| Substituents | vinylogous amidesulfuric acid monoestercarbonic acid derivativelactamorganic sulfuric acid or derivativesaromatic heteromonocyclic compoundazacycleheteroaromatic compoundpyrimidoneorganic oxideorganic oxygen compoundalkyl sulfateorganonitrogen compoundorganopnictogen compoundsulfate-esterhydrocarbon derivativeorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
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