| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:05:29 UTC |
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| Update Date | 2025-03-21 18:29:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00075285 |
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| Frequency | 44.4 |
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| Structure | |
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| Chemical Formula | C13H13N7O3S |
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| Molecular Mass | 347.0801 |
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| SMILES | Nc1nc(=O)c2nc(CNc3ccc(S(N)(=O)=O)cc3)cnc2[nH]1 |
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| InChI Key | CKXSALCHZKJUQI-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 | pterins and derivatives |
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| Direct Parent | pterins and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | aminosulfonyl compoundsazacyclic compoundsbenzenesulfonamidesbenzenesulfonyl compoundsheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundsorganosulfonamidesphenylalkylaminesprimary aminespyrazinespyrimidonessecondary alkylarylaminesvinylogous amides |
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| Substituents | organosulfonic acid or derivativesmonocyclic benzene moietypyrimidoneorganosulfur compoundpyrimidineorganosulfonic acid amideorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundbenzenesulfonyl groupvinylogous amidepterinbenzenesulfonamideazacycleaminosulfonyl compoundheteroaromatic compoundsecondary aminesecondary aliphatic/aromatic aminesulfonylorganic oxygen compoundorganic sulfonic acid or derivativespyrazinephenylalkylaminehydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundamineorganooxygen compound |
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