| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:55 UTC |
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| Update Date | 2025-03-25 00:50:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02178374 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H6N4O3S |
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| Molecular Mass | 226.0161 |
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| SMILES | Cn1c(=S)[nH]c(=O)c2c(=O)[nH]c(=O)[nH]c21 |
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| InChI Key | XSWNKELTXJQGNQ-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 heteropolycyclic compounds |
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| Alternative Parents | 2-thiopyrimidinesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeslactamsorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyrimidonesthioureasvinylogous amides |
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| Substituents | vinylogous amidethioureacarbonic acid derivativelactampyrimidinethioneazacycleheteroaromatic compoundpyrimidoneorganosulfur compoundorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound2-thiopyrimidinehydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundthiopyrimidine |
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