| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:11 UTC |
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| Update Date | 2025-03-25 00:50:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02183446 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H6N2O4S |
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| Molecular Mass | 214.0048 |
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| SMILES | O=C(O)CSc1nccc(C(=O)O)n1 |
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| InChI Key | YUJSDSHLYLQVPO-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 | pyrimidinecarboxylic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alkylarylthioethersazacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfenyl compounds |
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| Substituents | carbonyl groupcarboxylic acidsulfenyl compoundaromatic heteromonocyclic compoundazacycleheteroaromatic compoundalkylarylthioetherorganosulfur compoundcarboxylic acid derivativearyl thioetherorganic oxideorganic oxygen compoundthioetherorganonitrogen compounddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundpyrimidine-6-carboxylic acidorganooxygen compound |
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