| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:44:36 UTC |
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| Update Date | 2025-03-21 18:00:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00025738 |
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| Frequency | 172.2 |
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| Structure | |
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| Chemical Formula | C5H7N5O3S |
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| Molecular Mass | 217.027 |
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| SMILES | Nc1nc(=O)c2c([nH]1)NCNS2(=O)=O |
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| InChI Key | DCSLXWNBKQZZQE-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 heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundsorganosulfonamidesprimary aminessecondary alkylarylaminesvinylogous amides |
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| Substituents | vinylogous amideorganosulfonic acid or derivativesazacycleheteroaromatic compoundpyrimidonesecondary aminesecondary aliphatic/aromatic amineorganosulfonic acid amideorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundorganic sulfonic acid or derivativesorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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