| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:20 UTC |
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| Update Date | 2025-03-25 00:54:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02206572 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H18N2O9S |
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| Molecular Mass | 378.0733 |
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| SMILES | O=C(O)C(Cc1c[nH]c(=S)[nH]c1=O)OC1OC(CO)C(O)C(O)C1O |
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| InChI Key | HHPJECKWKLXSDO-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 | pyrimidinethiones |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-thiopyrimidinesacetalsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeslactamsmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesprimary alcoholspyrimidonessecondary alcoholsthioureasvinylogous amides |
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| Substituents | carbonyl groupthiourealactamcarboxylic acidpyrimidinethionearomatic heteromonocyclic compoundmonosaccharidepyrimidoneorganosulfur compoundcarboxylic acid derivativesaccharideorganic oxideacetalorganonitrogen compoundorganopnictogen compound2-thiopyrimidineoxaneprimary alcoholalcoholvinylogous amideazacycleheteroaromatic compoundoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundthiopyrimidine |
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