| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:54:02 UTC |
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| Update Date | 2025-03-21 18:04:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00048229 |
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| Frequency | 68.8 |
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| Structure | |
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| Chemical Formula | C6H6N2O3S |
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| Molecular Mass | 186.0099 |
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| SMILES | O=C(O)Cc1c[nH]c(=S)[nH]c1=O |
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| InChI Key | ZAJCWIFLJSMGCC-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-thiopyrimidinesazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeslactamsmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrimidonesthioureasvinylogous amides |
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| Substituents | carbonyl groupthiourealactamcarboxylic acidpyrimidinethionearomatic heteromonocyclic compoundpyrimidoneorganosulfur compoundcarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compound2-thiopyrimidinevinylogous amideazacycleheteroaromatic compoundmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundthiopyrimidine |
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