| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:46:32 UTC |
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| Update Date | 2025-03-21 18:00:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00030221 |
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| Frequency | 130.1 |
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| Structure | |
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| Chemical Formula | C7H6N4O3S |
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| Molecular Mass | 226.0161 |
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| SMILES | Nc1nc(=O)c2c([nH]1)SCC(C(=O)O)=N2 |
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| InChI Key | OVKAEVOCDDOYAI-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 heteropolycyclic compounds |
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| Alternative Parents | 1,4-thiazinesalkylarylthioethersamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesketiminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsprimary aminespropargyl-type 1,3-dipolar organic compoundspyrimidonesvinylogous amidesvinylogous thioesters |
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| Substituents | ketiminecarbonyl groupcarboxylic acidamino acid or derivativesamino acidiminepyrimidonealkylarylthioethercarboxylic acid derivativearyl thioetherpyrimidinepropargyl-type 1,3-dipolar organic compoundorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundvinylogous amidevinylogous thioesterpara-thiazineazacycleheteroaromatic compoundorganic 1,3-dipolar compoundmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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