| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:59 UTC |
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| Update Date | 2025-03-25 00:57:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02224444 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H8N2O3S |
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| Molecular Mass | 200.0256 |
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| SMILES | O=C(O)C(=O)CSCc1c[nH]cn1 |
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| InChI Key | SHGHQMWNGJQCNY-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | keto acids and derivatives |
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| Subclass | alpha-keto acids and derivatives |
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| Direct Parent | alpha-keto acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha-hydroxy ketonesazacyclic compoundscarboxylic acidsdialkylthioethersheteroaromatic compoundshydrocarbon derivativesimidazolesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfenyl compounds |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundorganosulfur compoundalpha-hydroxy ketonecarboxylic acid derivativeketoneorganic oxideimidazoleorganonitrogen compoundalpha-keto acidorganopnictogen compoundorganoheterocyclic compoundazolesulfenyl compoundazacycledialkylthioetherheteroaromatic compoundmonocarboxylic acid or derivativesorganic oxygen compoundthioetherhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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