| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:23 UTC |
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| Update Date | 2025-03-25 00:54:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02206668 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H10N2O5S |
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| Molecular Mass | 246.031 |
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| SMILES | O=C(O)C(O)CSCc1cc(=O)[nH]c(=O)[nH]1 |
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| InChI Key | ZYNXTVMRJBCFJW-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 | alpha hydroxy acids and derivativesazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylthioethersheteroaromatic compoundshydrocarbon derivativeslactamsmonocarboxylic acids and derivativesmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholssulfenyl compoundsvinylogous amides |
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| Substituents | carbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundalpha-hydroxy acidmonosaccharidepyrimidoneorganosulfur compoundcarboxylic acid derivativesaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundalcoholvinylogous amidecarbonic acid derivativesulfenyl compoundazacycledialkylthioetherheteroaromatic compoundhydroxy acidmonocarboxylic acid or derivativesorganic oxygen compoundthioethersecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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