| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:05 UTC |
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| Update Date | 2025-03-25 00:45:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02151309 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H6N4O3S |
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| Molecular Mass | 238.0161 |
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| SMILES | Cn1c(=S)[nH]c2ncc(C(=O)O)nc2c1=O |
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| InChI Key | BGQXSJXTTGPHFQ-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 | pteridines and derivatives |
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| Subclass | pteridines and derivatives |
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| Direct Parent | pteridines and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 2-thiopyrimidinesazacyclic compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeslactamsmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyrazine carboxylic acidspyrimidinethionespyrimidonesthioureasvinylogous amides |
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| Substituents | thiourealactamcarboxylic acidpyrimidinethionepyrimidoneorganosulfur compoundpteridinecarboxylic acid derivativepyrimidineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound2-thiopyrimidinevinylogous amideazacycleheteroaromatic compoundmonocarboxylic acid or derivativesorganic oxygen compoundpyrazinepyrazine carboxylic acidpyrazine carboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundthiopyrimidine |
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