| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:39 UTC |
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| Update Date | 2025-03-25 00:54:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02207280 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H11N7O2S |
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| Molecular Mass | 317.0695 |
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| SMILES | Nc1nc2ncnc(N)c2nc1-c1ccc(S(N)(=O)=O)cc1 |
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| InChI Key | RBSORCJHCFFBEB-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 | aminosulfonyl compoundsazacyclic compoundsbenzenesulfonamidesbenzenesulfonyl compoundsheteroaromatic compoundshydrocarbon derivativesimidolactamsorganic oxidesorganopnictogen compoundsorganosulfonamidesprimary aminespyrazinespyrimidines and pyrimidine derivatives |
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| Substituents | organosulfonic acid or derivativesmonocyclic benzene moietyorganosulfur compoundpteridinepyrimidineorganosulfonic acid amideorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundimidolactambenzenesulfonyl groupbenzenesulfonamideazacycleaminosulfonyl compoundheteroaromatic compoundsulfonylorganic oxygen compoundorganic sulfonic acid or derivativespyrazinehydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundamine |
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