| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:41:59 UTC |
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| Update Date | 2025-03-25 00:47:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02160170 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H7N3O3S |
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| Molecular Mass | 213.0208 |
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| SMILES | Nc1ccnc(SCC(=O)C(=O)O)n1 |
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| InChI Key | VNMPLHXYEIHWBE-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organosulfur compounds |
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| Class | thioethers |
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| Subclass | aryl thioethers |
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| Direct Parent | aryl thioethers |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alkylarylthioethersalpha-hydroxy ketonesalpha-keto acids and derivativesamino acidsazacyclic compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidolactamsmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsprimary aminespyrimidines and pyrimidine derivativessulfenyl compounds |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidalkylarylthioetheralpha-hydroxy ketonecarboxylic acid derivativearyl thioetherpyrimidineketoneorganic oxideorganonitrogen compoundalpha-keto acidorganopnictogen compoundimidolactamorganoheterocyclic compoundsulfenyl compoundazacycleheteroaromatic compoundmonocarboxylic acid or derivativesorganic oxygen compoundketo acidhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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