| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:12 UTC |
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| Update Date | 2025-03-25 00:56:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02220328 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H13N3O4S2 |
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| Molecular Mass | 291.0347 |
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| SMILES | CSSC1OC(n2ccc(N)nc2=O)C(O)C1O |
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| InChI Key | MCICIISCOPAPIT-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-diolsazacyclic compoundsdialkyldisulfidesheteroaromatic compoundshydrocarbon derivativesimidolactamsmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganopnictogen compoundsoxacyclic compoundsprimary aminessecondary alcoholssulfenyl compoundstetrahydrofurans |
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| Substituents | aromatic heteromonocyclic compoundmonosaccharidepyrimidoneorganosulfur compoundsaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundimidolactam1,2-diolalcoholcarbonic acid derivativesulfenyl compoundazacycletetrahydrofuranheteroaromatic compoundoxacycledialkyldisulfideorganic oxygen compoundorganic disulfidesecondary alcoholhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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