| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:00:59 UTC |
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| Update Date | 2025-03-21 18:06:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00064492 |
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| Frequency | 58.6 |
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| Structure | |
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| Chemical Formula | C13H12ClN7O3S |
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| Molecular Mass | 381.0411 |
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| SMILES | Nc1nc(=O)c2nc(CNc3ccc(S(N)(=O)=O)c(Cl)c3)cnc2[nH]1 |
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| InChI Key | ZUMKVAOUQDUMHT-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 compoundsaryl chloridesazacyclic compoundsbenzenesulfonamidesbenzenesulfonyl compoundschlorobenzenesheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganochloridesorganooxygen compoundsorganopnictogen compoundsorganosulfonamidesphenylalkylaminesprimary aminespyrazinespyrimidonessecondary alkylarylaminesvinylogous amides |
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| Substituents | organosulfonic acid or derivativesmonocyclic benzene moietyorganochloridepyrimidoneorganosulfur compoundorganohalogen compoundpyrimidineorganosulfonic acid amideorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundbenzenesulfonyl grouparyl chloridechlorobenzenevinylogous amidepterinbenzenesulfonamideazacycleaminosulfonyl compoundheteroaromatic compoundsecondary aminesecondary aliphatic/aromatic aminearyl halidesulfonylorganic oxygen compoundorganic sulfonic acid or derivativespyrazinephenylalkylaminehydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundhalobenzeneamineorganooxygen compound |
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