| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:51:54 UTC |
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| Update Date | 2025-03-21 18:03:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00043080 |
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| Frequency | 79.1 |
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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 | O=C(O)C(=O)Cc1c[nH]c(=S)[nH]1 |
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| InChI Key | QRZUPANTTCNZFL-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 | azolines |
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| Subclass | imidazolines |
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| Direct Parent | imidazolethiones |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha-hydroxy ketonesalpha-keto acids and derivativesazacyclic compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidazolesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsthioureas |
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| Substituents | carbonyl groupthioureacarboxylic acidaromatic heteromonocyclic compoundimidazole-2-thioneorganosulfur compoundalpha-hydroxy ketonecarboxylic acid derivativeketoneorganic oxideimidazoleorganonitrogen compoundalpha-keto acidorganopnictogen compoundazoleazacycleheteroaromatic compoundmonocarboxylic acid or derivativesorganic oxygen compoundketo acidhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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