| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:13 UTC |
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| Update Date | 2025-03-25 00:51:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02185811 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H7N5O3S |
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| Molecular Mass | 253.027 |
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| SMILES | Nc1nc2c(SCC(=O)O)ncnc2c(=O)[nH]1 |
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| InChI Key | FGEVAMMNKGWURK-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 | alkylarylthioethersamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeslactamsmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsprimary aminespyrimidonessulfenyl compounds |
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| Substituents | carbonyl grouplactamcarboxylic acidamino acid or derivativesamino acidpyrimidonealkylarylthioethercarboxylic acid derivativearyl thioetherpyrimidineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundsulfenyl compoundazacycleheteroaromatic compoundmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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