| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:08:19 UTC |
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| Update Date | 2025-03-21 18:30:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00082165 |
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| Frequency | 35.2 |
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| Structure | |
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| Chemical Formula | C9H12N2O9S |
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| Molecular Mass | 324.0264 |
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| SMILES | O=c1[nH]cc(C2OC(COS(=O)(=O)O)C(O)C2O)c(=O)[nH]1 |
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| InChI Key | YILMARJKLSKIBS-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 sulfatesazacyclic compoundsdialkyl ethersheteroaromatic compoundshydrocarbon derivativeslactamsmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundssecondary alcoholssulfuric acid monoesterstetrahydrofuransvinylogous amides |
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| Substituents | sulfuric acid monoesteretherlactamaromatic heteromonocyclic compoundmonosaccharidepyrimidonedialkyl ethersaccharideorganic oxidealkyl sulfateorganonitrogen compoundorganopnictogen compound1,2-diolalcoholvinylogous amidecarbonic acid derivativeorganic sulfuric acid or derivativesazacycletetrahydrofuranheteroaromatic compoundoxacycleorganic oxygen compoundsecondary alcoholsulfate-esterhydrocarbon derivativeorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
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