| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:20 UTC |
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| Update Date | 2025-03-25 00:59:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02236347 |
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| Frequency | 0.5 |
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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 | CSc1nc(=O)[nH]cc1C(=O)O |
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| InChI Key | MIQUWLSOILHXKP-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 compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyrimidonessulfenyl compoundsvinylogous amidesvinylogous thioesters |
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| Substituents | carboxylic acidaromatic heteromonocyclic compoundpyrimidonealkylarylthioetherorganosulfur compoundcarboxylic acid derivativearyl thioetherorganic oxideorganonitrogen compoundorganopnictogen compoundvinylogous thioestervinylogous amidecarbonic acid derivativesulfenyl compoundazacycleheteroaromatic compoundpyrimidine-5-carboxylic acidmonocarboxylic acid or derivativesorganic oxygen compoundthioetherhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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