| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:50 UTC |
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| Update Date | 2025-03-25 00:59:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02239692 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H5N3O4S |
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| Molecular Mass | 239.0001 |
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| SMILES | O=C1NC(=O)C(=Cc2c[nH]c(=O)[nH]c2=O)S1 |
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| InChI Key | MQLBXCNPVHNRGE-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 | diazines |
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| Subclass | pyrimidines and pyrimidine derivatives |
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| Direct Parent | pyrimidones |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acids and derivativesdicarboximidesheteroaromatic compoundshydrocarbon derivativeslactamsorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsthiazolidinedionesthiazolidinesthiolactonesvinylogous amides |
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| Substituents | vinylogous amidecarbonyl groupcarbonic acid derivativelactamaromatic heteromonocyclic compoundazacycleheteroaromatic compoundpyrimidonecarboxylic acid derivativethiazolidinedioneorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativedicarboximideorganic nitrogen compoundthiolactoneorganooxygen compoundthiazolidine |
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